Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02UJO
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| Former ID |
DIB019933
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| Drug Name |
GR138676
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| Synonyms |
GR 138676; GR-138676
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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 |
C75H92N12O15S
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| Canonical SMILES |
CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)COCC2=CC=CC=C2)N3CC4CCN(C4C3=O)C(=O)C(CC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC(=O)O)NC(=O)C(CC8=CN=CN8)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N
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| InChI |
1S/C75H92N12O15S/c1-47(2)33-63(73(98)79-55(44-101-42-51-25-15-7-16-26-51)45-102-43-52-27-17-8-18-28-52)87-41-53-29-31-86(66(53)75(87)100)74(99)62(36-50-23-13-6-14-24-50)85-70(95)59(35-49-21-11-5-12-22-49)81-69(94)58(34-48-19-9-4-10-20-48)82-72(97)61(39-65(90)91)84-71(96)60(37-54-40-77-46-78-54)83-68(93)57(30-32-103-3)80-67(92)56(76)38-64(88)89/h4-28,40,46-47,53,55-63,66H,29-39,41-45,76H2,1-3H3,(H,77,78)(H,79,98)(H,80,92)(H,81,94)(H,82,97)(H,83,93)(H,84,96)(H,85,95)(H,88,89)(H,90,91)/t53-,56+,57+,58+,59+,60+,61+,62+,63-,66-/m1/s1
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| InChIKey |
SHZVIDXXKGEHEF-QEPUNBJPSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Neuromedin-K receptor (TACR3) | Target Info | Antagonist | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Reactome | G alpha (q) signalling events | |||
| WikiPathways | 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: 2128). | |||
| REF 2 | GR138676, a novel peptidic tachykinin antagonist which is potent at NK3 receptors. Neuropeptides. 1994 Dec;27(6):333-41. | |||
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