Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0F9ZW
|
|||
| Former ID |
DIB020481
|
|||
| Drug Name |
N-acetylserotonin
|
|||
| Synonyms |
N-Acetyl-5-hydroxytryptamine; 1210-83-9; N-ACETYL SEROTONIN; N-[2-(5-Hydroxy-1H-indol-3-yl)ethyl]acetamide; acetylserotonin; Normelatonin; O-Demethylmelatonin; 5-Hydroxy-N-acetyltryptamine; UNII-P4TO3C82WV; Acetyl-5-hydroxy-tryptamine; 5-Hydroxymelatonin; N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)acetamide; 3-(2-Acetamidoethyl)-5-hydroxyindole; P4TO3C82WV; CHEMBL33103; CHEBI:17697; MVAWJSIDNICKHF-UHFFFAOYSA-N; Acetamide, N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-; A-1300; Desmethylmelatonin; N-acetyl-serotonin; O-demethylmelatonin; N-acetyl-5-hydroxytryptamine; N-[2-(5-Hydroxy-1H-indol-3-yl)-ethyl]-acetamide
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C12H14N2O2
|
|||
| Canonical SMILES |
CC(=O)NCCC1=CNC2=C1C=C(C=C2)O
|
|||
| InChI |
1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
|
|||
| InChIKey |
MVAWJSIDNICKHF-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 1210-83-9
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
2970, 4227, 901857, 3139614, 5284922, 7885978, 8144580, 8149643, 8150853, 11110718, 11335843, 11361082, 11363263, 11365825, 11368387, 11372941, 11374994, 11376549, 11462054, 11491686, 11493082, 11494183, 14822613, 17404608, 24278209, 24439261, 26612034, 26708899, 26747425, 26753507, 46500457, 46507511, 47291137, 47291138, 47365194, 47440261, 47515321, 47589004, 47662286, 47736489, 47736490, 47885419, 47885420, 48110455, 49746649, 50105763, 50105764, 50105765, 53777150, 53795928
|
|||
| ChEBI ID |
CHEBI:17697
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melatonin receptor type 1A (MTNR1A) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Circadian entrainment | ||||
| Reactome | Class A/1 (Rhodopsin-like receptors) | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Small Ligand GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5451). | |||
| REF 2 | Synthesis of 2-amido-2,3-dihydro-1H-phenalene derivatives as new conformationally restricted ligands for melatonin receptors. J Med Chem. 1996 Aug 2;39(16):3089-95. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.