Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94444 | Target Info | |||
| Target Name | Aldehyde oxidase (AOX1) | ||||
| Synonyms |
AOX1
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| Target Type | Successful Target | ||||
| Gene Name | AOX1 | ||||
| Biochemical Class | Aldehyde/oxo donor oxidoreductase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 5 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Zaleplon
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Approved | Compound Info | ||
| Synonyms |
Sonata; Zalaplon; Zerene; CL 284846; L 846; L846; LJC 10846; ZAL 846; AZ-007; CL 284,846; CL-284846; CL284,846; L-846; LJC-10846; SKP-1041; Sonata (TN); Staccato-zaleplon; Starnoc (TN); ZAL-846; Zaleplon [USAN:INN]; Zaleplon (JAN/USAN/INN); N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide; N-(3-(3-Cyanopyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-N-ethylacetamide; 3'-(3-Cyanopyrazolo(1,5-a)pyrimidin-7-yl)-N-ethylacetanilide; 3'-(3-Cyanopyrazolo(1,5-alpha)pyrimidin-7-yl)-N-ethylacetanilide
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| Activity |
Ki = 83000 nM
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[1] | |||
| Compound Name |
Cimetidine
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Approved | Compound Info | ||
| Synonyms |
Acibilin; Acinil; Altramet; Brumetidina; Cimal; Cimetadine; Cimetag; Cimetidina; Cimetidinum; Cimetum; Dyspamet; Edalene; Eureceptor; Evicer; Gastrobitan; Gastromet; Histodil; Magicul; Metracin; Peptol; Sigmetadine; Tagamet; Tametin; Tratul; Ulcedin; Ulcedine; Ulcestop; Ulcimet; Ulcofalk; Ulcomedina; Ulcomet; Ulhys; Valmagen; Venopex; Ci metum; Cimetidine Hcl; Tagamet Hb; Biomet400; C 4522; FPF 1002; SKF 92334; Tagamet Hb 200; CIMETIDINE A/AB; Cimetidina [INN-Spanish]; Cimetidinum [INN-Latin]; DRG-0150; SKF-92334; Tagamet (TN); Tagamet HB (TN); Tagamet HB200 (TN); SK&F-92334; Cimetidine (JP15/USP/INN); Cimetidine [USAN:INN:BAN:JAN]; Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil, Cimetidine; N-Cyano-N'-methyl-[2-[[[5-methyl-1H-imidazol-4-yl]methyl]thio]ethyl]guanidine; N''-Cyano-N-methyl-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine; N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine; N-cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine; N-cyano-N'-methyl-N''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine; N-Cyano-N'-Methyl-N''-(2-(((5-Methyl-1H-Imidazol-4-YL)Methyl)Thio)Ethyl) Guanidine; N-Cyano-N'-methyl-N''-(2-(((5-methyl-1 H-imidazol-4-yl) methyl)thio)ethyl)guanidine; N-Cyano-N'-methyl-N''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)guanidine; N''-cyano-N-methyl-N'-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine; 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine; 1-Cyano-2-methyl-3-[2-[[(5-methylimidazol-4-yl)methyl]thio]ethyl]guanidine; 1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine; 2-Cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine; 2-Cyano-1-methyl-3-[2-(5-methyl-1H-imidazol-4-yl-methylthio)ethyl]guanidine; 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine; 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine
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| Activity |
Ki = 155000 nM
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[2] | |||
| Compound Name |
(2-Formylethyl)phenylphosphinic acid ethyl ester
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Investigative | Compound Info | ||
| Synonyms |
3-[ethoxy(phenyl)phosphoryl]propanal; CHEMBL103375; Phosphinic acid, (3-oxopropyl)phenyl-, ethyl ester; 2-EPP; Ethylphenyl(2-formylethyl)phosphinate; Ethyl (2-formylethyl)phenylphosphinate; SCHEMBL1607320; CTK4I4344; DTXSID60961466; Ethyl (3-oxopropyl)phenylphosphinate; BDBM50366978; Phosphinic acid,(3-oxopropyl)phenyl-, ethyl ester (9CI)
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| Activity |
Ki = 100000 nM
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[3] | |||
| Compound Name |
3-Diethoxyphosphorylpropanal
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL316980; 3-(Diethoxyphosphinyl)propanal; diethyl(3-oxopropyl)phosphonate; SCHEMBL2382808; 3-diethylphosphonopropionaldehyde; CTK1B3649; diethyl (3-oxopropyl)phosphonate; diethyl 3-oxo-propane phosphonate; DTXSID20473499; BDBM50366982; ZINC26828547; DIETHYL 3-OXOPROPYLPHOSPHONATE; Phosphonic acid, (3-oxopropyl)-, diethyl ester; Phosphonic acid, P-(3-oxopropyl)-, diethyl ester
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| Activity |
Ki = 200000 nM
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[3] | |||
| Compound Name |
3-Diethoxyphosphoryl-1,1-diethoxypropane
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Investigative | Compound Info | ||
| Synonyms |
Diethyl(3,3-diethoxypropyl)phosphonate; diethyl (3,3-diethoxypropyl)phosphonate; CHEMBL102691; diethyl 3,3-diethoxypropylphosphonate; MFCD00800259; NSC309693; SCHEMBL5918893; CTK4C6888; DTXSID90316965; Phosphonic acid, P-(3,3-diethoxypropyl)-, diethyl ester; ZINC1568896; BDBM50366976; AKOS017343415; NSC-309693; 3-Diethoxyphosphoryl-1,1-diethoxy-propane; Diethyl (3,3-diethoxyprop-1-yl)phosphonate; Phosphonic acid,P-(3,3-diethoxypropyl)-, diethyl ester
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| Activity |
Ki = 200000 nM
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[3] | |||
| Non Binders of This Target (in total, 5 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Proadifen
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Investigative | Compound Info | ||
| Synonyms |
Ethyl aprofen; Propyladiphenin; UNII-A510CA4CBT; HL 8727; 2-Diethylaminoethyl propyldiphenylacetate; 2-Diethylaminoethyl-2,2-diphenylvalerate; ACETIC ACID, PROPYLDIPHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER; AV 54315; 2-(Diethylamino)ethyl 2,2-diphenylpentanoate; A510CA4CBT; CHEMBL282567; Benzeneacetic acid, .alpha.-phenyl-.alpha.-propyl-, 2-(diethylamino)ethyl ester; Proadifene [INN-French]; Proadifenum [INN-Latin]; Proadifeno [INN-Spanish]; SKF 525-A; NSC39690; CCRIS 7248; NSC170997; BRN 2478573; AI3-22951; 2-(Diethylamino)ethyl 2,2-diphenylvalerate hydrochloride; 2,2-Diphenylpentansaeure-2-diethylaminoethylester; 2-Diethylaminoethyl .alpha.,.alpha.-diphenyl valerate hydrochloride; Spectrum_001487; 2-diethylaminoethyl 2,2-diphenylpentanoate; Prestwick0_000778; Prestwick1_000778; Prestwick2_000778; Prestwick3_000778; Spectrum2_000924; Spectrum3_001172; Spectrum4_000328; Spectrum5_001164; Lopac-P-1061; Benzeneacetic acid, alpha-phenyl-alpha-propyl-, 2-(diethylamino)ethyl ester; Lopac0_000906; BSPBio_000856; BSPBio_002783; KBioGR_000675; KBioSS_001967; 4-09-00-02566 (Beilstein Handbook Reference); 5171 RP (Salt/Mix); RP 5171 (Salt/Mix); DivK1c_000737; SCHEMBL122630; SPBio_000828; SPBio_002795; SKF-525-A (Salt/Mix); BPBio1_000942; NSC-39690 (Salt/Mix); DTXSID2048452; KBio1_000737; KBio2_001967; KBio2_004535; KBio2_007103; KBio3_002283; NINDS_000737; Proadifen hydrochloride (Salt/Mix); ZINC1671505; BDBM50017716; HSCI1_000231; STK049476; AKOS003658590; CCG-204988; MCULE-1938474920; SDCCGSBI-0050881.P004; IDI1_000737; NCGC00015799-01; NCGC00015799-02; NCGC00015799-03; NCGC00015799-04; NCGC00015799-11; NCGC00162290-01; SBI-0050881.P003; AB00053629; 2-(Diethylamino)ethyl 2,2-diphenylpentanoate #; AB00053629_10; AB00053629_11; Q7246819; 2,2-Diphenylvaleric acid 2-(diethylamino)ethyl ester; 2-Benzhydryl-pentanoic acid 2-diethylamino-ethyl ester; BRD-K46317332-003-05-3; BRD-K46317332-003-06-1; BRD-K46317332-003-10-3; 2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl ester; Valeric acid, 2,2-diphenyl-, 2-(diethylamino)ethyl ester (8CI)
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| Activity |
IC50 > 200000 nM
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[2] | |||
| Compound Name |
[3,3-Diethoxypropyl(ethoxy)phosphoryl]benzene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL318466; BDBM50366980
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| Activity |
Ki = 300000 nM
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[3] | |||
| Compound Name |
Diethyl (2-oxoethyl)phosphonate
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Investigative | Compound Info | ||
| Synonyms |
2-diethoxyphosphorylacetaldehyde; DIETHYL (FORMYLMETHYL)PHOSPHONATE; CHEMBL103253; Phosphonic acid, P-(2-oxoethyl)-, diethyl ester; diethyl 2-oxoethylphosphonate; NSC377651; 2-diethoxyphosphorylethanal; diethylphosphonoacetaldehyde; SCHEMBL1378158; 2-diethoxyphosphoryl-acetaldehyde; CTK0I3954; DTXSID30321558; 2-(diethoxyphosphinyl)acetaldehyde; BCP32468; ZINC1590430; 8108AA; BDBM50366977; AKOS006229138; 2-oxoethylphosphonic acid diethyl ester; NSC-377651; SC-34451; (2-Oxo-ethyl)-phosphonic acid diethyl ester; FT-0654689; A810169; 3-BROMO-4-HYDROXY-5-METHOXY-BENZOICACIDMETHYLESTER; Diethyl (2-oxoethyl)phosphonate; (2-Oxoethyl)phosphonic acid diethyl ester
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| Activity |
Ki = 300000 nM
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[3] | |||
| Compound Name |
[2,2-Diethoxyethyl(ethoxy)phosphoryl]benzene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL318547; BDBM50366981
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| Activity |
Ki = 400000 nM
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[3] | |||
| Compound Name |
Diethyl (2,2-diethoxyethyl)phosphonate
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Investigative | Compound Info | ||
| Synonyms |
Diethyl 2,2-diethoxyethylphosphonate; diethyl(2,2-diethoxyethyl)phosphonate; 2-diethoxyphosphoryl-1,1-diethoxyethane; CHEMBL105079; 2,2-Diethoxyethylphosphonic Acid Diethyl Ester; MFCD00009236; Phosphonic acid, (2,2-diethoxyethyl)-, diethyl ester; (2,2-diethoxyethyl)diethoxyphosphino-1-one; C10H23O5P; Diethyl2,2-diethoxyethylphosphonate; EINECS 231-504-0; Diethyl phosphonacetaldehyde diethyl acetal; SCHEMBL508153; ACMC-209p13; DTXSID20226881; KS-000015QU; NSC77101; ZINC1708365; 1809AC; ANW-36709; BDBM50366975; NSC-77101; NSC407851; SBB058450; AKOS005257029; MCULE-5839581415; NSC-407851; diethylphosphonoacetaldehyde diethylacetal; AS-63194; Diethylphosphonoacetaldehyde Diethyl Acetal; DB-056008; Diethyl 2,2-diethoxyethylphosphonate, 95%; D2423; FT-0609221; ST51021253; (2,2-Diethoxy-ethyl)-phosphonic acid diethyl ester; phosphonic acid, P-(2,2-diethoxyethyl)-, diethyl ester
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| Activity |
Ki = 1500000 nM
|
[3] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Hydralazine as a selective probe inactivator of aldehyde oxidase in human hepatocytes: estimation of the contribution of aldehyde oxidase to metabolic clearance. Drug Metab Dispos. 2012 Jul;40(7):1441-8. | ||||
| REF 2 | Aldehyde oxidase: an enzyme of emerging importance in drug discovery. J Med Chem. 2010 Dec 23;53(24):8441-60. | ||||
| REF 3 | Cyclophosphamide potentiation and aldehyde oxidase inhibition by phosphorylated aldehydes and acetals. J Med Chem. 1980 Mar;23(3):300-4. | ||||
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