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

General Information of Drug (ID: DR3090)
Drug Name
PPI-2458
Synonyms Metapro; 6-O-[N-[1(R)-Carbamoyl-2-methylpropyl]carbamoyl]fumagillol
Indication Diabetes mellitus [ICD11: 5A10] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 424.5 Topological Polar Surface Area 116
Heavy Atom Count 30 Rotatable Bond Count 9
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
6918653
CAS Number
431077-35-9
TTD Drug ID
D0KR1N
Formula
C22H36N2O6
Canonical SMILES
CC(C)[C@H](C(=O)N)NC(=O)O[C@@H]1CC[C@]2(CO2)[C@H]([C@@H]1OC)[C@@]3([C@H](O3)CC=C(C)C)C
InChI
InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18-,21+,22+/m1/s1
InChIKey
QBDVVYNLLXGUGN-XGTBZJOHSA-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
PPI-2458 metabolite M1 DM017346 N. A. Oxidation - Hydroxylation 1 [2]
PPI-2458 metabolite M2 DM017347 N. A. Unclear 1 [2]
PPI-2458 metabolite M3 DM017348 N. A. Unclear 1 [2]
PPI-2458 metabolite M4 DM017349 N. A. Oxidation - Hydroxylation 1 [2]
PPI-2458 metabolite M5 DM020016
118753274
Unclear 1 [2]
PPI-2458 metabolite M6 DM020017
118753275
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013759 PPI-2458 PPI-2458 metabolite M1 Oxidation - Hydroxylation CYP3A4 ... [2]
MR013760 PPI-2458 PPI-2458 metabolite M2 Unclear CYP3A4 ... [2]
MR013761 PPI-2458 PPI-2458 metabolite M3 Unclear CYP3A4 ... [2]
MR013762 PPI-2458 PPI-2458 metabolite M4 Oxidation - Hydroxylation CYP3A4 ... [2]
MR013763 PPI-2458 PPI-2458 metabolite M5 Unclear CYP3A4 ... [2]
MR013764 PPI-2458 PPI-2458 metabolite M6 Unclear CYP3A4 ... [2]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
References
1 ClinicalTrials.gov (NCT00100347) Safety/Tolerance Study of PPI-2458 in Subjects With Non-Hodgkin's Lymphoma and Solid Tumors. U.S. National Institutes of Health.
2 Metabolites of PPI-2458, a selective, irreversible inhibitor of methionine aminopeptidase-2: structure determination and in vivo activity. Drug Metab Dispos. 2013 Apr;41(4):814-26.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.