Drug Information

Drug General Information
Drug ID
D0K4ED
Former ID
DNC001224
Drug Name
Ro-23-9424
Drug Type
Small molecular drug
Indication Bacterial infections [ICD9: 001-009, 010-018, 020-027, 030-041, 080-088, 090-099, 100-104; ICD10:A00-B99] Discontinued in Phase 2 [544670]
Company
Roche
Structure
Download
2D MOL

3D MOL
Formula
C31H31F3N8O8S2
Canonical SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)OCC4=C(N5C(C<br />(C5=O)NC(=O)C(=NOC)C6=CSC(=N6)N)SC4)C(=O)O)CCF)F
InChI
1S/C31H31F3N8O8S2/c1-39-5-7-40(8-6-39)24-17(33)9-15-23(19(24)34)41(4-3-32)10-16(25(15)43)30(48)50-11-14-12-51-28-21(27(45)42(28)22(14)29(46)47)37-26(44)20(38-49-2)18-13-52-31(35)36-18/h9-10,13,21,28H,3-8,11-12H2,1-2H3,(H2,35,36)(H,37,44)(H,46,47)/b38-20+/t21-,28?/m1/s1
InChIKey
IKYGJSBKPPIKJK-AXPDRVGVSA-N
CAS Number
CAS 115622-58-7
PubChem Compound ID
44381655
PubChem Substance ID
103426547
Target and Pathway
Target(s) Bacterial DNA gyrase Target Info Modulator
References
Ref 544670Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000529)

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