Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07DGM
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| Former ID |
DIB008555
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| Drug Name |
BQ-518
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| Synonyms |
BQ 518; CHEBI:2967; CHEMBL2074702; BQ-518; AC1L9EDN; BQ518; BDBM50390984; 136554-29-5; C11589; 2-[(3R,6R,9S,12S,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-thiophen-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetic acid
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| Drug Type |
Small molecular drug
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| Indication | Hypertension [ICD-11: BA00-BA04; ICD-9: 401] | Terminated | [1] | |
| Company |
MSD Japan
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| Structure |
 |
Download2D MOL |
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| Formula |
C32H38N6O7S
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| Canonical SMILES |
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C3=CC=CS3)CC(=O)O)CC4=CNC5=CC=CC=C54
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| InChI |
1S/C32H38N6O7S/c1-17(2)13-21-28(41)34-22(14-18-16-33-20-8-4-3-7-19(18)20)29(42)36-23(15-26(39)40)32(45)38-11-5-9-24(38)30(43)37-27(31(44)35-21)25-10-6-12-46-25/h3-4,6-8,10,12,16-17,21-24,27,33H,5,9,11,13-15H2,1-2H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t21-,22+,23+,24-,27+/m0/s1
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| InChIKey |
KXUDUVUGZWJNHV-QEXRHJMMSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:2967
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Endothelin A receptor (EDNRA) | Target Info | Modulator | [2] |
| 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 800006825) | |||
| REF 2 | Structure-activity relationships of cyclic pentapeptide endothelin A receptor antagonists. J Med Chem. 1995 Oct 13;38(21):4309-24. | |||
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