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

General Information of Drug (ID: DR4349)
Drug Name
SNX-5422
Prodrug Info SNX-5422 is the prodrug of Isonicotinic acyl-NADH
Synonyms
908115-27-5; PF-04929113; SNX-5422; SNX 5422; SNX5422; UNII-BF52J69Q8T; PF 04929113; PF-04929113 (SNX-5422); BF52J69Q8T; PF04929113; PF-4929113; cc-40; MLS006011083; SCHEMBL1220791; SCHEMBL1220790; CHEMBL1195136; SCHEMBL15604989; DTXSID50238270; C25H30F3N5O4; MolPort-023-293-502; BCPP000065; HMS3656B09; EX-A2343; BCP02427; s2656; ZINC95616595; ABP000737; ZINC100071931; ZINC252517142; AKOS027276395; SB16643; DB06070; API0008143; RL05706; SNX-5422 /; CS-0272; NCGC00346640-01; NCGC00386184-02; Glycine, trans-4-((2-(aminocarbonyl)-5-(4,5,6,7-tetrah
Indication Acute lymphoblastic leukemia [ICD11: 2B33] Phase 1/2 [1]
Lung cancer [ICD11: ICD11: 2C25] Phase 1/2 [2]
Chronic lymphocytic leukaemia [ICD11: ICD11: 2A82] Phase 1 [3]
Stomach cancer [ICD11: ICD11: 2B72] Phase 1 [4]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 521.5 Topological Polar Surface Area 142
Heavy Atom Count 37 Rotatable Bond Count 7
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
44195571
CAS Number
908115-27-5
TTD Drug ID
D07MPL
Formula
C25H30F3N5O4
Canonical SMILES
CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C
InChI
InChI=1S/C25H30F3N5O4/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36)
InChIKey
AVDSOVJPJZVBTC-UHFFFAOYSA-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
Isonicotinic acyl-NADH DM020053
129320363
. 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR014200 SNX-5422 SNX-2122 . Unclear [5]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 Phase I dose-escalation studies of SNX-5422, an orally bioavailable heat shock protein 90 inhibitor, in patients with refractory solid tumours

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