Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05WKI
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| Former ID |
DNC009397
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| Drug Name |
UCM-454
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| Synonyms |
CHEMBL33185; UCM454; GTPL7783; UCM 454; BDBM50240442; N-[[1-[(4-chlorophenyl)methyl]-4-methoxyindol-2-yl]methyl]propanamide; N-[[1-(4-Chlorobenzyl)-4-methoxy-1H-indole-2-yl]methyl]propionamide; N-((1-(4-chlorobenzyl)-4-methoxy-1H-indol-2-yl)methyl)propionamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C20H23NO2
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| Canonical SMILES |
CCC(=O)NCC1CC2=CC=CC=C2CC3=C1C=C(C=C3)OC
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| InChI |
1S/C20H23NO2/c1-3-20(22)21-13-17-11-15-7-5-4-6-14(15)10-16-8-9-18(23-2)12-19(16)17/h4-9,12,17H,3,10-11,13H2,1-2H3,(H,21,22)
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| InChIKey |
FRJHLFANQUOSEH-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| 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: 7783). | |||
| REF 2 | 2-[(2,3-dihydro-1H-indol-1-yl)methyl]melatonin analogues: a novel class of MT2-selective melatonin receptor antagonists. J Med Chem. 2009 Feb 12;52(3):826-33. | |||
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