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

General Information of Drug (ID: DR3169)
Drug Name
EPZ-5676
Synonyms
pinometostat; EPZ-5676; 1380288-87-8; EPZ5676; UNII-8V9YR09EF3; UNII-F66X4M38G5; 8V9YR09EF3; CHEMBL3087499; CHEMBL3414626; F66X4M38G5; 1380288-88-9; (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-((((1r,3S)-3-(2-(5-(tert-butyl)-1H-benzo[d]imidazol-2-yl)ethyl)cyclobutyl)(isopropyl)amino)methyl)tetrahydrofuran-3,4-diol; Pinometostat, trans-; 5'-[{cis-3-[2-(5-Tert-Butyl-1h-Benzimidazol-2-Yl)ethyl]cyclobutyl}(Propan-2-Yl)amino]-5'-Deoxyadenosine
Indication Acute myeloid leukaemia [ICD11: 2A60] Phase 1/2 [1]
Acute lymphoblastic leukemia [ICD11: ICD11: 2B33] Phase 1 [2]
Mantle cell lymphoma [ICD11: ICD11: 2A85] Phase 1 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 562.7 Topological Polar Surface Area 151
Heavy Atom Count 41 Rotatable Bond Count 9
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
57345410
ChEBI ID
CHEBI:124919
CAS Number
1380288-87-8
TTD Drug ID
D0C6GK
Formula
C30H42N8O3
Canonical SMILES
CC(C)N(C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C
InChI
InChI=1S/C30H42N8O3/c1-16(2)37(13-22-25(39)26(40)29(41-22)38-15-34-24-27(31)32-14-33-28(24)38)19-10-17(11-19)6-9-23-35-20-8-7-18(30(3,4)5)12-21(20)36-23/h7-8,12,14-17,19,22,25-26,29,39-40H,6,9-11,13H2,1-5H3,(H,35,36)(H2,31,32,33)/t17?,19?,22-,25-,26-,29-/m1/s1
InChIKey
LXFOLMYKSYSZQS-XKHGBIBOSA-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
EPZ-5676 M1 DM016267
67777088
Oxidation - Hydroxylation 1 [4]
EPZ-5676 M4 DM016266
67776320
Oxidation - N-dealkylation 1 [4]
EPZ-5676 M5 DM019602 N. A. Oxidation - Hydroxylation 1 [4]
EPZ-5676 M6 DM019601 N. A. Oxidation - N-oxidation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012262 EPZ-5676 EPZ-5676 M1 Oxidation - Hydroxylation CYP [4]
MR012263 EPZ-5676 EPZ-5676 M6 Oxidation - N-oxidation CYP [4]
MR012264 EPZ-5676 EPZ-5676 M5 Oxidation - Hydroxylation CYP [4]
MR012265 EPZ-5676 EPZ-5676 M4 Oxidation - N-dealkylation CYP [4]
References
1 ClinicalTrials.gov (NCT03701295) Pinometostat and Azacitidine in Treating Patients With Relapsed, Refractory, or Newly Diagnosed Acute Myeloid Leukemia With 11q23 Rearrangement. U.S. National Institutes of Health.
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 Nonclinical pharmacokinetics and metabolism of EPZ-5676, a novel DOT1L histone methyltransferase inhibitor

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