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

General Information of Drug (ID: DR3421)
Drug Name
Pacritinib
Synonyms JAK inhibitor (alone or in combination)s
Indication Chronic myelogenous leukaemia [ICD11: 2A20] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 472.6 Topological Polar Surface Area 68.7
Heavy Atom Count 35 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
46216796
CAS Number
937272-79-2
TTD Drug ID
D0PN8H
Formula
C28H32N4O3
Canonical SMILES
C1CCN(C1)CCOC2=C3COC/C=C/COCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2
InChI
InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+
InChIKey
HWXVIOGONBBTBY-ONEGZZNKSA-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
Pacritinib M1 metabolite DM005140
53363151
Oxidation - Oxidationn 1 [2]
Pacritinib M2 metabolite DM005141
53364338
Oxidation - O-dealkylation 1 [2]
Pacritinib M3 metabolite DM005142
164888934
Other reaction - Oxidation 1 [2]
Pacritinib M4 metabolite DM005143
132520872
Reduction - Reduction 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005577 Pacritinib Pacritinib M1 metabolite Oxidation - Oxidationn CYP3A4 [2]
MR005578 Pacritinib Pacritinib M2 metabolite Oxidation - O-dealkylation CYP3A4 [2]
MR005579 Pacritinib Pacritinib M3 metabolite Other reaction - Oxidation CYP3A4 [2]
MR005580 Pacritinib Pacritinib M4 metabolite Reduction - Reduction CYP3A4 [2]
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 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7793).
2 Metabolism and Disposition of Pacritinib (SB1518), an Orally Active Janus Kinase 2 Inhibitor in Preclinical Species and Humans
3 A Comprehensive Overview of Globally Approved JAK Inhibitors

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