Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2955)
Drug Name
Ro-23-9424
Synonyms Ro-23-9424
Indication Bacterial infection [ICD11: 1A00-1C4Z] Discontinued in Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 764.8 Topological Polar Surface Area 254
Heavy Atom Count 52 Rotatable Bond Count 12
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 19
Cross-matching ID
PubChem CID
6918090
TTD Drug ID
D0K4ED
Formula
C31H31F3N8O8S2
Canonical SMILES
CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)OCC4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N/OC)/C6=CSC(=N6)N)SC4)C(=O)O)CCF)F
InChI
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-YZURVANNSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Desacetylcefotaxime DM000748
9576239
Unclear - Unclear 1 [2]
Fleroxacin DM014860
3357
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011857 Ro-23-9424 Desacetylcefotaxime Unclear - Unclear Unclear [2]
MR011858 Ro-23-9424 Fleroxacin Unclear - Unclear Unclear [2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000529)
2 Pharmacokinetics of Ro 23-9424, a dual-action cephalosporin, in animals

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