Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T32060 | Target Info | |||
| Target Name | 5-HT 2A receptor (HTR2A) | ||||
| Synonyms |
Serotonin receptor 2A; HTR2; 5-hydroxytryptamine receptor 2A; 5-HT-2A; 5-HT-2
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| Target Type | Successful Target | ||||
| Gene Name | HTR2A | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 11 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
6-bromo-2'-de-N-methylaplysinopsin
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Investigative | Compound Info | ||
| Activity |
Ki ~ 100000 nM
|
[1] | |||
| Compound Name |
4-(2-Aminopropyl)-2,5-dimethoxyphenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL8352; Phenol, 4-(2-aminopropyl)-2,5-dimethoxy-; BDBM50015002; 4-(2-Amino-propyl)-2,5-dimethoxy-phenol
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| Activity |
Ki ~ 50000 nM
|
[2] | |||
| Compound Name |
1,2,3,4,8,9,10,11,12,13-Decahydrocycloocta[b][1,4]diazepino[6,7,1-hi]indole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL89738; SCHEMBL5394622; BDBM50145565; L022948
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| Activity |
EC50 = 64000 nM
|
[3] | |||
| Compound Name |
(E)-N-(2-(2-(Trifluoromethyl)-1H-indol-1-yl)ethyl)-3-(3,4,5-trimethoxyphenyl)acrylamide
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Investigative | Compound Info | ||
| Synonyms |
TG6-10-1; CHEMBL3264204; BCP16857; EX-A2407; BDBM50016950; MFCD29472234; ZINC169347551; CS-4637; NCGC00484068-01; AS-55993; HY-16978; A15968
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| Activity |
IC50 = 75000 nM
|
[4] | |||
| Compound Name |
Chembl4212812
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Investigative | Compound Info | ||
| Synonyms |
BDBM50457576
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| Activity |
IC50 = 85800 nM
|
[5] | |||
| Compound Name |
2-Propyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepin-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331806; SCHEMBL10436744; SCHEMBL10436745; BDBM50428897
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| Activity |
Ki = 100000 nM
|
[6] | |||
| Compound Name |
CID 20026449
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331793; BDBM50428892; 3-ethoxy-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine
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| Activity |
Ki = 100000 nM
|
[6] | |||
| Compound Name |
Chembl4209572
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL19878802; BDBM50459717
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| Activity |
EC50 = 100000 nM
|
[7] | |||
| Compound Name |
11-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1684128; BDBM50338641; (+/-)-11-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)-N-propylnoraporphine
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| Activity |
Ki = 100000 nM
|
[8] | |||
| Compound Name |
Chembl4217846
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Investigative | Compound Info | ||
| Synonyms |
SCHEMBL19878681; BDBM50459711
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| Activity |
EC50 = 100000 nM
|
[7] | |||
| Compound Name |
DL-Methamphetamine
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Investigative | Compound Info | ||
| Synonyms |
N-methyl-1-phenylpropan-2-amine; dl-Desoxyephedrine; Anadrex; Pervertin; dl-Methamphetamin; Ephedrine, deoxy-; Deoxyephedrine; (2-Methylaminopropyl)benzene; Desoxyephedrine; (+/-)-Methamphetamine; Benzeneethanamine, N,alpha-dimethyl-; Desoxyn; rac-Methamphetamine; (+-)-N,alpha-Dimethylphenethylamine; (+-)-Desoxyephedrine; (+-)-Methamphetamine; 1-Phenyl-2-methylamino-propan; (+-)-N-Methylamphetamine; N-Methyl-beta-phenylisopropylamin; N,alpha-Dimethylphenethylamine; N,alpha-Dimethylbenzeneethanamine; N-Methyl-1-phenyl-2-propylamine; alpha-Phenyl-beta-methylaminopropane; d,l-Methamphetamine; EINECS 231-559-0; Methamphetamine, DL-; (+-)-N,alpha-Dimethylbenzeneethanamine; PHENETHYLAMINE, N,alpha-DIMETHYL-; BRN 1072499; Benzeneethanamine, N,.alpha.-dimethyl-, (R)-; Benzeneethanamine, N,.alpha.-dimethyl-, (S)-; (+/-)-Deoxyephedrine; Phenethylamine, N,.alpha.-dimethyl-, (S)-(+)-; (.+-.)-Deoxyephedrine; Racemic methyl amphetamine; NCGC00247330-02; CHEMBL508; METHAMPHETAMINE (+); METHAMPHETAMINE (-); (+/-)-N-Methylamphetamine; SCHEMBL42178; 1-Phenyl-2-methylaminopropan; DivK1c_000988; GTPL4803; DTXSID3043861; NIOSH/SH4911000; CTK4G2699; KBio1_000988; 2-(Methylamino)-1-phenylpropane; dl-1-Phenyl-2-methylaminopropane; N-Methyl-1-phenyl-isopropylamine; NINDS_000988; alpha-phenyl-beta-methlaminopropane; Benzeneethanamine,dimethyl- (9CI); BDBM50009057; NSC403767; Phenethylamine, N,.alpha.-dimethyl-; (+/-)-N,alpha-Dimethylphenethylamine; AKOS008901219; Benzeneethanamine, N,.alpha.-dimethyl-; NSC 403767; NSC-403767; IDI1_000988; (+/-)-N,alpha-Dimethylbenzeneethanamine; Methyl-(1-methyl-2-phenyl-ethyl)-amine; NCGC00247330-01; Phenethylamine, N,.alpha.-dimethyl-, D-; Phenethylamine, N,alpha-dimethyl- (8CI); rac-Methamphetamine 0.1 mg/ml in Methanol; rac-Methamphetamine 1.0 mg/ml in Methanol; Phenethylamine, N,alpha-dimethyl-, (+-)-; (R)Methyl-(1-methyl-2-phenyl-ethyl)-amine; SH49110000; (-)-2-[METHYLAMINO]-1-PHENYLPROPANE; Phenethylamine,.alpha.-dimethyl-, (.+-.)-; Benzeneethanamine,.alpha.-dimethyl-, (.+-.)-; 4-12-00-02589 (Beilstein Handbook Reference); J-523644; Q44909815; Methyl-(1-methyl-2-phenyl-ethyl)-amine(methamphetamine)
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| Activity |
Ki = 101000 nM
|
[9] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 17 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
AF353
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|
Investigative | Compound Info | ||
| Synonyms |
AF-353; AF 353
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| Activity |
Ki = 100000000 nM
|
[10] | |||
| Compound Name |
3-[(Dipropylamino)methyl]-5-methoxy-N,N-dipropyl-2,4-dihydrochromen-3-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL416336; BDBM50421374
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| Activity |
IC50 = 213796.21 nM
|
[11] | |||
| Compound Name |
4h-Isoxazolo[4,5-d]azepine,5,6,7,8-tetrahydro-3-methoxy-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331792; ZINC11259; BDBM50428893; 3-methoxy-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepine
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| Activity |
Ki = 300000 nM
|
[6] | |||
| Compound Name |
3-Methoxy-6-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331795; BDBM50428901
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| Activity |
Ki > 300000 nM
|
[6] | |||
| Compound Name |
2-Ethyl-6-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepin-3-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331791; SCHEMBL10436564; SCHEMBL10436565; BDBM50428894
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|
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| Activity |
Ki > 300000 nM
|
[6] | |||
| Compound Name |
CID 14515722
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331804; BDBM50428899; 2-methyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepin-3-one
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| Activity |
Ki > 300000 nM
|
[6] | |||
| Compound Name |
3-Ethoxy-6-methyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331796; BDBM50428900
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| Activity |
Ki > 300000 nM
|
[6] | |||
| Compound Name |
2-Ethyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepin-3-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331805; SCHEMBL10436608; SCHEMBL10576605; BDBM50428898
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|
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| Activity |
Ki = 300000 nM
|
[6] | |||
| Compound Name |
5,6,7,8-Tetrahydro-4H-isoxazolo(4,5-d)azepin-3-ol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL309689; 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepin-3-one; 5,6,7,8-tetrahydro-4H-isoxazolo-[4,5-d]azepin-3-ol; SCHEMBL7412843; DTXSID00201893; 5,6,7,8-Tetrahydro-2H-isoxazolo(4,5-d)azepin-3(4H)-one; BDBM50224808; ZINC13859296; AKOS023622247; 5,6,7,8-tetrahydro-4h-isoxazolo-[ 4,5-d]azepin-3-ol; 2H-Isoxazolo(4,5-d)azepin-3(4H)-one, 5,6,7,8-tetrahydro-; 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-d]azepin-6-ium-3-olate
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| Activity |
Ki > 300000 nM
|
[6] | |||
| Compound Name |
2,6-Dimethyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepin-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331808; BDBM50428895
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|
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| Activity |
Ki > 300000 nM
|
[6] | |||
| Compound Name |
2-Benzyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331801; BDBM50428907
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|
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| Activity |
EC50 > 1000000 nM
|
[6] | |||
| Compound Name |
2-Ethyl-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331797; BDBM50428911
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|
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| Activity |
EC50 > 1000000 nM
|
[6] | |||
| Compound Name |
2-Benzyl-5,6,7,8-tetrahydro-4H-[1,2]oxazolo[4,5-c]azepin-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331802; BDBM50428906
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|
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| Activity |
EC50 > 1000000 nM
|
[6] | |||
| Compound Name |
2-Ethyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331800; BDBM50428908
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| Activity |
EC50 > 1000000 nM
|
[6] | |||
| Compound Name |
2-Methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331799; BDBM50428909
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| Activity |
EC50 > 1000000 nM
|
[6] | |||
| Compound Name |
3-Ethoxy-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2331798; BDBM50428910
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| Activity |
EC50 > 1000000 nM
|
[6] | |||
| Compound Name |
1-[2-Hydroxy-3-methyl-4-[[4-[4-(2H-tetrazol-5-yl)pyridin-2-yl]oxyphenyl]methoxy]phenyl]ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3899832; SCHEMBL3163790; BDBM50207400
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| Activity |
Ki > 7470000 nM
|
[12] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | New antiinfective and human 5-HT2 receptor binding natural and semisynthetic compounds from the Jamaican sponge Smenospongia aurea. J Nat Prod. 2002 Apr;65(4):476-80. | ||||
| REF 2 | Potential modes of interaction of 9-aminomethyl-9,10-dihydroanthracene (AMDA) derivatives with the 5-HT2A receptor: a ligand structure-affinity relationship, receptor mutagenesis and receptor modeling investigation. J Med Chem. 2008 Nov 13;51(21):6808-28. | ||||
| REF 3 | Cycloalkyl[b][1,4]benzodiazepinoindoles are agonists at the human 5-HT2C receptor. Bioorg Med Chem Lett. 2004 May 17;14(10):2603-7. | ||||
| REF 4 | Development of second generation EP2 antagonists with high selectivity. Eur J Med Chem. 2014 Jul 23;82:521-35. | ||||
| REF 5 | Synthesis and activity of di- or trisubstituted N-(phenoxyalkyl)- or N-{2-[2-(phenoxy)ethoxy]ethyl}piperazine derivatives on the central nervous system. Bioorg Med Chem Lett. 2018 Jun 15;28(11):2039-2049. | ||||
| REF 6 | Design, synthesis, and pharmacological characterization of N- and O-substituted 5,6,7,8-tetrahydro-4H-isoxazolo[4,5-d]azepin-3-ol analogues: novel 5-HT(2A)/5-HT(2C) receptor agonists with pro-cognitive properties. J Med Chem. 2013 Feb 14;56(3):1211-27. | ||||
| REF 7 | 5-HT 2C Receptor Agonists for the Treatment of Obesity. ACS Med Chem Lett. 2018 Aug 1;9(9):864-865. | ||||
| REF 8 | Further SAR study on 11-O-substituted aporphine analogues: identification of highly potent dopamine D3 receptor ligands. Bioorg Med Chem. 2011 Mar 15;19(6):1999-2008. | ||||
| REF 9 | Synthesis and Discovery of Arylpiperidinylquinazolines: New Inhibitors of the Vesicular Monoamine Transporter. J Med Chem. 2018 Oct 25;61(20):9121-31. | ||||
| REF 10 | Identification and SAR of novel diaminopyrimidines. Part 1: The discovery of RO-4, a dual P2X(3)/P2X(2/3) antagonist for the treatment of pain. Bioorg Med Chem Lett. 2009 Mar 15;19(6):1628-31. | ||||
| REF 11 | Synthesis, biological activity and quantitative structure-activity relationships of N-substituted-3,4-dihydro-2H-1-benzopyran derivatives. Bioorg Med Chem Lett. 1996 May 21;6(10):1077-82. | ||||
| REF 12 | Discovery of dual positive allosteric modulators (PAMs) of the metabotropic glutamate 2 receptor and CysLT1 antagonists for treating migraine headache. Bioorg Med Chem Lett. 2017 Jan 15;27(2):323-328. | ||||
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