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

General Information of Drug (ID: DR1454)
Drug Name
Ruxolitinib phosphate
Synonyms
Ruxolitinib (phosphate); Ruxolitinib phosphate; Ruxolitinib phosphate salt; Ruxolitinib phosphate(INCB018424); UNII-436LRU32H5; (R)-3-(4-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile phosphate; (betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile phosphate; 1092939-17-7; 436LRU32H5; CHEBI:66917; INCB 018424 phosphate; J-501793; Jakafi; Jakavi
Indication Myelofibrosis [ICD11: 2A22] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 404.4 Topological Polar Surface Area 161
Heavy Atom Count 28 Rotatable Bond Count 4
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
25127112
ChEBI ID
CHEBI:66917
CAS Number
1092939-17-7
TTD Drug ID
D0D8KQ
Formula
C17H21N6O4P
Canonical SMILES
C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3.OP(=O)(O)O
InChI
1S/C17H18N6.H3O4P/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16;1-5(2,3)4/h6,8-12,15H,1-5H2,(H,19,20,21);(H3,1,2,3,4)/t15-;/m1./s1
InChIKey
JFMWPOCYMYGEDM-XFULWGLBSA-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
8-hydroxy-R-phenprocoumon DM001237
101721002
Oxidation - 3-Hydroxylation 1 [4]
Ruxolitinib M18 metabolite DM001269
73425533
Oxidation - 2-Hydroxylation 1 [4]
Ruxolitinib M49 metabolite DM001270
165411999
Unclear 1 [4]
Ruxolitinib M9 metabolite DM001268
73425521
Unclear 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002215 Ruxolitinib phosphate Ruxolitinib M16 metabolite Oxidation - 3-Hydroxylation CYP3A4 ... [4]
MR002216 Ruxolitinib phosphate Ruxolitinib M18 metabolite Oxidation - 2-Hydroxylation CYP3A4 ... [4]
MR002217 Ruxolitinib phosphate Ruxolitinib M49 metabolite Unclear CYP3A4 ... [4]
MR002214 Ruxolitinib M16 metabolite Ruxolitinib metabolite M9 Unclear CYP3A4 ... [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Ruxolitinib Phosphate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 DrugBank(Pharmacology-Metabolism):Ruxolitinib
3 Ruxolitinib: in the treatment of myelofibrosis. Drugs. 2012 Nov 12;72(16):2117-27.
4 Metabolism, excretion, and pharmacokinetics of [14C]INCB018424, a selective Janus tyrosine kinase 1/2 inhibitor, in humans Drug Metab Dispos. 2010 Nov;38(11):2023-31. doi: 10.1124/dmd.110.033787.

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