Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03UVL
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| Former ID |
DIB002319
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| Drug Name |
SSR-240612
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| Synonyms |
N2-[3(R)-(1,3-Benzodioxol-5-yl)-3-(6-methoxynaphthalen-2-ylsulfonamido)propionyl]-4-[2(R),6(S)-dimethylpiperidin-1-ylmethyl]-N1-isopropyl-N1-methyl-D-phenylalaninamide hydrochloride
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| Drug Type |
Small molecular drug
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| Indication | Rheumatoid arthritis [ICD-11: FA20] | Phase 2 | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C42H53ClN4O7S
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| Canonical SMILES |
CC1CCCC(N1CC2=CC=C(C=C2)CC(C(=O)N(C)C(C)C)NC(=O)CC(C3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC6=C(C=C5)C=C(C=C6)OC)C.Cl
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| InChI |
1S/C42H52N4O7S.ClH/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36;/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47);1H/t28-,29+,37-,38-;/m1./s1
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| InChIKey |
GLHHFOSVBQQNAW-GDYXXZBVSA-N
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| CAS Number |
CAS 464930-42-5
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | B1 bradykinin receptor (BDKRB1) | Target Info | Antagonist | [3], [4] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Complement and coagulation cascades | ||||
| Inflammatory mediator regulation of TRP channels | ||||
| Regulation of actin cytoskeleton | ||||
| Pathways in cancer | ||||
| NetPath Pathway | Leptin Signaling Pathway | |||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| G alpha (i) signalling events | ||||
| WikiPathways | Complement and Coagulation Cascades | |||
| ACE Inhibitor Pathway | ||||
| Regulation of Actin Cytoskeleton | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| Vitamin D Receptor Pathway | ||||
| 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: 662). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800017078) | |||
| REF 3 | The kinin B1 receptor antagonist SSR240612 reverses tactile and cold allodynia in an experimental rat model of insulin resistance. Br J Pharmacol. 2007 September; 152(2): 280-287. | |||
| REF 4 | Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery. Nucleic Acids Res. 2012 Jan;40(Database issue):D1128-36. | |||
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