Drug Information

Drug General Information
Drug ID
D04XJM
Former ID
DCL000013
Drug Name
R1295
Drug Type
Small molecular drug
Indication Rheumatoid arthritis [ICD9: 710-719, 714; ICD10:M05-M06] Discontinued in Phase 1 [536651]
Company
Roche
Structure
Download
2D MOL

3D MOL
Formula
C31H38ClF2N5O6
Canonical SMILES
CC(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCNC(=O)N3C(C(=C(NC3=O)C<br />OC)C(=O)OC)C4=CC(=C(C=C4)F)F.Cl
InChI
1S/C31H37F2N5O6.ClH/c1-19(39)35-23-7-4-6-21(16-23)20-10-14-37(15-11-20)13-5-12-34-30(41)38-28(22-8-9-24(32)25(33)17-22)27(29(40)44-3)26(18-43-2)36-31(38)42;/h4,6-9,16-17,20,28H,5,10-15,18H2,1-3H3,(H,34,41)(H,35,39)(H,36,42);1H/t28-;/m0./s1
InChIKey
PRHMKHZSQPQGCD-JCOPYZAKSA-N
PubChem Compound ID
11520238
PubChem Substance ID
16622106, 49684227, 57376783, 79411410, 134338726, 134339548, 163336981
Target and Pathway
Target(s) Integrin alpha-4/beta-7 Target Info Modulator
References
Ref 536651Emerging drugs for rheumatoid arthritis. Expert Opin Emerg Drugs. 2008 Mar;13(1):175-96.

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