Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09XLS
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| Former ID |
DNC000659
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| Drug Name |
FR139317
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| Synonyms |
D-Alanine, N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl-1-methyl-D-tryptophyl-3-(2-pyridinyl)-; FR 139317; 142375-60-8; CHEMBL352396; 2-((1-(Hexahydro-1H-azepinyl)carbonyl)amino-4-methylpentanoyl)-3-(-(1-methyl-1H-indolyl)propionyl)amino-3-(2-pyridyl)propionic acid; D-Alanine, N-(N-(N-((hexahydro-1H-azepin-1-yl)carbonyl)-L-leucyl)-1-methyl-D-tryptophyl)-3-(2-pyridinyl)-; GSK424887
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| Drug Type |
Small molecular drug
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| Indication | Hypertension [ICD-11: BA00-BA04; ICD-9: 401] | Phase 2 | [1], [2] | |
| Anxiety disorder [ICD-11: 6B00-6B0Z] | Discontinued in Phase 1 | [3] | ||
| Depression [ICD-11: 6A70-6A7Z] | Discontinued in Phase 1 | [3] | ||
| Structure |
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Download2D MOL |
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| Formula |
C33H44N6O5
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)NC(CC3=CC=CC=N3)C(=O)O)NC(=O)N4CCCCCC4
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| InChI |
1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1
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| InChIKey |
LIOKMIQQPDDTNO-UPRLRBBYSA-N
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| CAS Number |
CAS 142375-60-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Endothelin A receptor (EDNRA) | Target Info | Antagonist | [4] |
| Substance-P receptor (TACR1) | Target Info | Antagonist | [5] | |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Measles | ||||
| cGMP-PKG signaling pathway | ||||
| cAMP signaling pathway | ||||
| Vascular smooth muscle contraction | ||||
| Renin secretion | ||||
| Pathways in cancer | ||||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Panther Pathway | CCKR signaling map ST | |||
| Endothelin signaling pathway | ||||
| Pathway Interaction Database | Endothelins | |||
| EGFR-dependent Endothelin signaling events | ||||
| Reactome | G alpha (q) signalling events | |||
| Peptide ligand-binding receptors | ||||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Spinal Cord Injury | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| Prostaglandin Synthesis and Regulation | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| Endothelin Pathways | ||||
| GPCRs, Other | ||||
| 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: 998). | |||
| REF 2 | Acute Endothelin-Receptor Inhibition Does Not Attenuate Acetylcholine-Induced Coronary Vasoconstriction in Experimental Hypercholesterolemia. Arteriosclerosis, Thrombosis, and Vascular Biology, 1998.18: 108-113. | |||
| REF 3 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800027682) | |||
| REF 4 | Reduction of bFGF-induced smooth muscle cell proliferation and endothelin receptor mRNA expression by mevastatin and atorvastatin. Biochem Pharmacol. 2002 Aug 1;64(3):497-505. | |||
| REF 5 | Clinical pipeline report, company report or official report of GlaxoSmithKline (2009). | |||
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