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

General Information of Drug (ID: DR5739)
Drug Name
Ruxolitinib
Synonyms Ruxolitinib (JAK inhibitor)
Indication Chronic myelogenous leukaemia [ICD11: 2A20] Approved [1]
Coronavirus Disease 2019 (COVID-19) [ICD11: ICD11: 1D6Y] Phase 3 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 306.4 Topological Polar Surface Area 83.2
Heavy Atom Count 23 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
25126798
ChEBI ID
CHEBI:66919
CAS Number
941678-49-5
TTD Drug ID
D04LKS
Formula
C17H18N6
Canonical SMILES
C1CCC(C1)[C@@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3
InChI
InChI=1S/C17H18N6/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/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
InChIKey
HFNKQEVNSGCOJV-OAHLLOKOSA-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 [5] , [6]
Ruxolitinib M18 metabolite DM001269
73425533
Oxidation - 2-hydroxylation 1 [5] , [6]
Ruxolitinib M49 metabolite DM001270
165411999
Unclear - Unclear 1 [5] , [6]
Ruxolitinib M9 metabolite DM001268
73425521
Other reaction - Ketone formation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008879 Ruxolitinib Ruxolitinib M16 metabolite Oxidation - 3-hydroxylation CYP3A4 ... [5], [6]
MR008881 Ruxolitinib Ruxolitinib M18 metabolite Oxidation - 2-hydroxylation CYP3A4 ... [5], [6]
MR008882 Ruxolitinib Ruxolitinib M49 metabolite Unclear - Unclear CYP3A4 ... [5], [6]
MR008880 Ruxolitinib M16 metabolite Ruxolitinib M9 metabolite Other reaction - Ketone formation CYP3A4 ... [3]
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
[3]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[4]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Incyte begins Phase III trial of ruxolitinib to treat Covid-19. 20.April.2020.
3 DrugBank(Pharmacology-Metabolism):Ruxolitinib
4 Pharmacokinetics and Pharmacodynamics of Ruxolitinib: A Review
5 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.
6 The effect of CYP3A4 inhibition or induction on the pharmacokinetics and pharmacodynamics of orally administered ruxolitinib (INCB018424 phosphate) in healthy volunteers

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