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

General Information of Drug (ID: DR3174)
Drug Name
MAK683
Synonyms
XLIBABIFOBYHSV-UHFFFAOYSA-N; EED inhibitor-1; 1951408-58-4; MAK-683; N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine; N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine; SCHEMBL17841485; EX-A1723; BCP29116; ACN-053195; CS-8054; AC-30344; HY-103663
Indication Diffuse large B-cell lymphoma [ICD11: 2A81] Phase 1/2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 376.4 Topological Polar Surface Area 77.2
Heavy Atom Count 28 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
121412508
CAS Number
1951408-58-4
TTD Drug ID
D0UO0C
Formula
C20H17FN6O
Canonical SMILES
CC1=C(C=CC=N1)C2=CN=C(N3C2=NN=C3)NCC4=C(C=CC5=C4CCO5)F
InChI
InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)
InChIKey
XLIBABIFOBYHSV-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
MAK683 M1 DM016549
121412523
Unclear - Unclear 1 [2]
MAK683 M27 DM016551
121433108
Unclear - Unclear 1 [2]
MAK683 M28-1 DM019608 N. A. Unclear - Unclear 1 [2]
MAK683 M28-2 DM019603 N. A. Unclear - Unclear 1 [2]
MAK683 M51 DM016550
121412598
Unclear - Unclear 1 [2]
MAK683 M53 DM016684
137440470
Unclear - Unclear 1 [2]
MAK683 M56 DM019615 N. A. Unclear - Unclear 1 [2]
MAK683 M57 DM019612 N. A. Unclear - Unclear 1 [2]
MAK683 M9 DM019616 N. A. Unclear - Unclear 1 [2]
MAK683 M15 DM019611 N. A. Unclear - Unclear 2 [2]
MAK683 M19 DM019609 N. A. Unclear - Unclear 2 [2]
MAK683 M26 DM019604 N. A. Unclear - Unclear 2 [2]
MAK683 M29 DM019607 N. A. Unclear - Unclear 2 [2]
MAK683 M33 DM019613 N. A. Unclear - Unclear 2 [2]
MAK683 M38 DM019614 N. A. Unclear - Unclear 2 [2]
MAK683 M46 DM019610 N. A. Unclear - Unclear 2 [2]
MAK683 M47 DM016683
137440468
Unclear - Unclear 2 [2]
MAK683 M10 DM019605 N. A. Unclear - Unclear 3 [2]
MAK683 M7 DM019606 N. A. Unclear - Unclear 4 [2]
⏷ Show the Full List of 19  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012266 MAK683 MAK683 M28-2 Unclear - Unclear Unclear [2]
MR012271 MAK683 MAK683 M28-1 Unclear - Unclear Unclear [2]
MR012274 MAK683 MAK683 M27 Unclear - Unclear Unclear [2]
MR012277 MAK683 MAK683 M57 Unclear - Unclear Unclear [2]
MR012279 MAK683 MAK683 M51 Unclear - Unclear Unclear [2]
MR012281 MAK683 MAK683 M53 Unclear - Unclear Unclear [2]
MR012282 MAK683 MAK683 M56 Unclear - Unclear CYP3A4 [2]
MR012283 MAK683 MAK683 M9 Unclear - Unclear Unclear [2]
MR012284 MAK683 MAK683 M1 Unclear - Unclear Unclear [2]
MR012275 MAK683 M27 MAK683 M47 Unclear - Unclear Unclear [2]
MR012276 MAK683 M27 MAK683 M15 Unclear - Unclear Unclear [2]
MR012272 MAK683 M28-1 MAK683 M19 Unclear - Unclear Unclear [2]
MR012273 MAK683 M28-1 MAK683 M46 Unclear - Unclear Unclear [2]
MR012267 MAK683 M28-2 MAK683 M26 Unclear - Unclear Unclear [2]
MR012270 MAK683 M28-2 MAK683 M29 Unclear - Unclear Unclear [2]
MR012280 MAK683 M51 MAK683 M38 Unclear - Unclear Unclear [2]
MR012278 MAK683 M57 MAK683 M33 Unclear - Unclear Unclear [2]
MR012268 MAK683 M26 MAK683 M10 Unclear - Unclear Unclear [2]
MR012269 MAK683 M10 MAK683 M7 Unclear - Unclear Unclear [2]
⏷ Show the Full List of 19 MR(s)
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Preclinical pharmacokinetics and metabolism of MAK683, a clinical stage selective oral embryonic ectoderm development (EED) inhibitor for cancer treatment

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