Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D01LAU
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| Former ID |
DNC008529
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| Drug Name |
5-methoxycarbonylamino-N-acetyltryptamine
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| Synonyms |
5-Methoxycarbonylamino-N-acetyltryptamine; GR 135531; 190277-13-5; 5-MCA-NAT; 5MCA-NAT; CHEMBL504585; methyl 3-(2-acetamidoethyl)-1H-indol-5-ylcarbamate; methyl N-[3-(2-acetamidoethyl)-1H-indol-5-yl]carbamate; Methyl {3-[2-(Acetylamino)ethyl]-1h-Indol-5-Yl}carbamate; Methyl [3-[2-(acetylamino)ethyl]-1H-indol-5-yl]carbamate; Tocris-0896; AC1N7T0H; GTPL3393; SCHEMBL4655625; CTK6J2921; CHEBI:93457; DTXSID70401560; MPZVHKLZCUEJFO-UHFFFAOYSA-N; MolPort-003-848-587; HMS3266P16; ZINC2567732; BN0231; BDBM50260394; PDSP2_001790
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C14H17N3O3
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| Canonical SMILES |
CC(=O)NCCC1=CNC2=C1C=C(C=C2)NC(=O)OC
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| InChI |
1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)
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| InChIKey |
MPZVHKLZCUEJFO-UHFFFAOYSA-N
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| CAS Number |
CAS 190277-13-5
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| PubChem Compound ID | ||||
| PubChem Substance ID |
6290404, 7978608, 9627826, 11113768, 14750699, 26751952, 29215031, 35542592, 47583802, 48329131, 57356892, 71753364, 79639898, 85787577, 91614382, 103619802, 104110036, 112845218, 123050766, 128631352, 134221808, 134345734, 135698167, 137186245, 142405033, 162022746, 162247320, 162967835, 164761931, 178100406, 184594788, 204371613, 223759866, 230562864, 241181962, 241377516, 249776595
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| ChEBI ID |
CHEBI:93457
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melatonin receptor type 1A (MTNR1A) | Target Info | Inhibitor | [2] |
| Melatonin receptor type 1B (MTNR1B) | 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: 3393). | |||
| REF 2 | Design and synthesis of benzofuranic derivatives as new ligands at the melatonin-binding site MT3. Bioorg Med Chem. 2008 May 1;16(9):4954-62. | |||
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