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

General Information of Drug (ID: DR2905)
Drug Name
FK-973
Synonyms FK-973
Indication Solid tumour/cancer [ICD11: 2A00-2F9Z] Discontinued in Phase 1 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 447.4 Topological Polar Surface Area 155
Heavy Atom Count 32 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
6917966
TTD Drug ID
D0NK2U
Formula
C20H21N3O9
Canonical SMILES
CC(=O)N1[C@@H]2[C@H]1C3([C@H](C4=C(C=C(C=C4OC(=O)C)C=O)N(C2)O3)COC(=O)N)OC(=O)C
InChI
InChI=1S/C20H21N3O9/c1-9(25)23-15-6-22-14-4-12(7-24)5-16(30-10(2)26)17(14)13(8-29-19(21)28)20(32-22,18(15)23)31-11(3)27/h4-5,7,13,15,18H,6,8H2,1-3H3,(H2,21,28)/t13-,15-,18-,20?,23?/m0/s1
InChIKey
FBXPCVIKIBWXAE-GFUNNECNSA-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
FR66974 DM015895
15051716
Unclear - Unclear 1 [2]
FR66980 DM015392
3035469
Unclear - Unclear 1 [2]
FR67042 DM015177
133974
Unclear - Unclear 1 [2]
FR900482 DM015167
130513
Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011479 FK-973 FR67042 Unclear - Unclear ES [2]
MR011481 FK-973 FR66974 Unclear - Unclear ES [2]
MR011483 FK-973 FR66980 Unclear - Unclear ES [2]
MR011482 FR66974 FR900482 Unclear - Unclear ES [2]
MR011480 FR67042 FR900482 Unclear - Unclear ES [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 800000815)
2 A new antitumor antibiotic, FK973: its metabolism in the blood and the antitumor effects of its metabolites on experimental models

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