Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02QQB
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| Former ID |
DIB002099
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| Drug Name |
A-216546
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| Synonyms |
ABT-546; (2S,3R,4S)-1-[2-(Dibutylamino)-2-oxoethyl]-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)tetrahydro-1H-pyrrole-3-carboxylic acid
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C00-D48; ICD-9: 140-199, 210-229] | Discontinued in Phase 1 | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C30H49ClN2O6
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| Canonical SMILES |
CCCCN(CCCC)C(=O)CN1CC(C(C1CC(C)(C)CCC)C(=O)O)C2=CC3=C(C(=C2)OC)OCO3.Cl
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| InChI |
1S/C30H48N2O6.ClH/c1-7-10-13-31(14-11-8-2)26(33)19-32-18-22(21-15-24(36-6)28-25(16-21)37-20-38-28)27(29(34)35)23(32)17-30(4,5)12-9-3;/h15-16,22-23,27H,7-14,17-20H2,1-6H3,(H,34,35);1H/t22-,23+,27-;/m1./s1
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| InChIKey |
KMKKFZCVBRAWNX-KQQHTNMISA-N
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| CAS Number |
CAS 223756-43-2
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Endothelin A receptor (EDNRA) | Target Info | Antagonist | [2], [3] |
| KEGG Pathway | Calcium signaling pathway | |||
| cGMP-PKG signaling pathway | ||||
| cAMP signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Renin secretion | ||||
| Pathways in cancer | ||||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Panther Pathway | Endothelin signaling pathway | |||
| Pathway Interaction Database | Endothelins | |||
| EGFR-dependent Endothelin signaling events | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Prostaglandin Synthesis and Regulation | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010699) | |||
| REF 2 | Pharmacology of A-216546: a highly selective antagonist for endothelin ET(A) receptor. Eur J Pharmacol. 1999 Feb 5;366(2-3):189-201. | |||
| REF 3 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||
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