Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0O5OM
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| Former ID |
DNC006384
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| Drug Name |
VL-0395
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| Synonyms |
CHEMBL137814; GTPL886; BDBM50061836; 3-{3-[(5-Carbamimidoyl-1H-indole-2-carbonyl)-amino]-benzoylamino}-3-phenyl-propionic acid; beta-[[3-[(5-Amidino-1H-indol-2-yl)carbonylamino]benzoyl]amino]benzenepropanoic acid; 3-[[3-[(5-carbamimidoyl1H-indole-2-carbonyl)amino]benzoyl]amino]-3-phenylpropanoic acid
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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 |
C26H23N5O4
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| Canonical SMILES |
C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(=N)N
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| InChI |
1S/C26H23N5O4/c27-24(28)16-9-10-20-18(11-16)13-22(30-20)26(35)29-19-8-4-7-17(12-19)25(34)31-21(14-23(32)33)15-5-2-1-3-6-15/h1-13,21,30H,14H2,(H3,27,28)(H,29,35)(H,31,34)(H,32,33)
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| InChIKey |
RVWSCZNGPOUASU-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholecystokinin receptor type A (CCKAR) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Insulin secretion | ||||
| Pancreatic secretion | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide 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: 886). | |||
| REF 2 | 2D-QSAR and 3D-QSAR/CoMFA analyses of the N-terminal substituted anthranilic acid based CCK(1) receptor antagonists: 'Hic Rhodus, hic saltus'. Bioorg Med Chem. 2009 Jul 15;17(14):5198-206. | |||
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