Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08IXA
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| Former ID |
DNC000344
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| Drug Name |
BQ788
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| Synonyms |
(2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoic acid; BQ 788; AC1MIWQ3; GTPL1010; SCHEMBL18429752
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| Drug Type |
Small molecular drug
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| Indication | Acute kidney injury [ICD-11: GB60; ICD-10: N17; ICD-9: 584] | Phase 3 | [1] | |
| Encephalopathy [ICD-11: 8E47; ICD-10: G93.4] | Phase 3 | [2], [3] | ||
| Myasthenia gravis [ICD-11: 8C6Y; ICD-10: G70.0; ICD-9: 358] | Phase 3 | [1], [2] | ||
| Neuromyelitis optica [ICD-11: 8A43; ICD-10: G36.0; ICD-9: 341] | Phase 3 | [1] | ||
| Hypertension [ICD-11: BA00-BA04; ICD-9: 401] | Phase 1 | [4], [5] | ||
| Structure |
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Download2D MOL
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| Formula |
C34H50N5NaO7
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| Canonical SMILES |
CCCCC(C(=O)[O-])NC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)NC(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C.[Na+]
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| InChI |
1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/q;+1/p-1/t21-,22+,25-,26-,27+;/m1./s1
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| InChIKey |
QCVIFBRTTLMEOV-FUKQNADPSA-M
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| CAS Number |
CAS 156161-89-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Endothelin B receptor (EDNRB) | Target Info | Antagonist | [6] |
| KEGG Pathway | Calcium signaling pathway | |||
| cGMP-PKG signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Melanogenesis | ||||
| Pathways in cancer | ||||
| Panther Pathway | Endothelin signaling pathway | |||
| Pathway Interaction Database | Endothelins | |||
| Arf6 trafficking 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 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||
| REF 2 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||
| REF 3 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||
| REF 4 | 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: 1010). | |||
| REF 5 | ClinicalTrials.gov (NCT00427232) Endothelin-Receptor Blockade in Coronary Heart Disease. U.S. National Institutes of Health. | |||
| REF 6 | BQ788, an endothelin ET(B) receptor antagonist, attenuates stab wound injury-induced reactive astrocytes in rat brain. Glia. 1999 May;26(3):268-71. | |||
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