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

General Information of Drug (ID: DR5507)
Drug Name
Pralsetinib
Synonyms
GBLBJPZSROAGMF-SIYOEGHHSA-N; Blu667; 2097132-94-8; SCHEMBL18806610; SCHEMBL18789229; SCHEMBL18789228; GTPL10033; BLU-668; EX-A1944; HY-112301; CS-0044766; N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]ethyl]-1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclohexane-1-carboxamide
Indication Lung cancer [ICD11: 2C25] Approved [1]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Phase 1 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 533.6 Topological Polar Surface Area 136
Heavy Atom Count 39 Rotatable Bond Count 8
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
129073603
CAS Number
2097132-94-8
TTD Drug ID
D0OD2I
Formula
C27H32FN9O2
Canonical SMILES
CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)N[C@@H](C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC
InChI
InChI=1S/C27H32FN9O2/c1-16-11-22(33-23-12-17(2)35-36-23)34-25(31-16)19-7-9-27(39-4,10-8-19)26(38)32-18(3)20-5-6-24(29-13-20)37-15-21(28)14-30-37/h5-6,11-15,18-19H,7-10H2,1-4H3,(H,32,38)(H2,31,33,34,35,36)/t18-,19?,27?/m0/s1
InChIKey
GBLBJPZSROAGMF-SIYOEGHHSA-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
M453 DM005154 N. A. Oxidation - Oxidationn 1 [6]
M531 DM005155 N. A. Oxidation - Oxidationn 1 [6]
M549b DM005156 N. A. Oxidation - Oxidationn 1 [6]
M709 DM005157 N. A. Conjugation - Glucuronidation 1 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005581 Pralsetinib M453 Oxidation - Oxidationn Unclear [6]
MR005582 Pralsetinib M531 Oxidation - Oxidationn Unclear [6]
MR005583 Pralsetinib M549b Oxidation - Oxidationn Unclear [6]
MR005584 Pralsetinib M709 Conjugation - Glucuronidation Unclear [6]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[3]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[4]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[4]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[5]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 ABCB1 and ABCG2, but not CYP3A4 limit oral availability and brain accumulation of the RET inhibitor pralsetinib
4 DrugBank(Pharmacology-Metabolism):Pralsetinib
5 An overview of the role of selpercatinib and pralsetinib in RET-fusion-positive non-small cell lung cancer (NSCLC)
6 FDA:Pralsetinib

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