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

General Information of Drug (ID: DR3486)
Drug Name
PF-04965842
Synonyms .
Indication Atopic dermatitis [ICD11: EA80] Phase 3 [1]
Lupus erythematosus [ICD11: ICD11: 4A40] Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 323.42 Topological Polar Surface Area 99.4
Heavy Atom Count 22 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
78323835
CAS Number
1622902-68-4
TTD Drug ID
D05PCM
Formula
C14H21N5O2S
Canonical SMILES
CCCS(=O)(=O)NC1CC(C1)N(C)C2=NC=NC3=C2C=CN3
InChI
InChI=1S/C14H21N5O2S/c1-3-6-22(20,21)18-10-7-11(8-10)19(2)14-12-4-5-15-13(12)16-9-17-14/h4-5,9-11,18H,3,6-8H2,1-2H3,(H,15,16,17)
InChIKey
IUEWXNHSKRWHDY-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
Abrocitinib M1 metabolite DM004977
162364434
Oxidation - Oxidationn 1 [4]
Abrocitinib M2 metabolite DM004979
162364437
Unclear 1 [5]
Abrocitinib M2 metabolite DM004979
162364437
Oxidation - Oxidationn 1 [4]
Abrocitinib M3 metabolite DM004982
162364430
Unclear 1 [5]
Abrocitinib M3 metabolite DM004982
162364430
Oxidation - Oxidationn 1 [4]
Abrocitinib M4 metabolite DM004972 N. A. Oxidation - Oxidationn 1 [4]
Abrocitinib M5 metabolite DM004983 N. A. Unclear 1 [5]
PF-04965842 Metabolites M1 DM019537 N. A. Unclear - Unclear 1 [5]
PF-04965842 Metabolites M2 DM019544 N. A. Unclear - Unclear 1 [6]
PF-04965842 Metabolites M3 DM019547 N. A. Unclear - Unclear 1 [6]
PF-04965842 Metabolites M4 DM019540 N. A. Unclear - Unclear 1 [6]
PF-04965842 Metabolites M5 DM019548 N. A. Unclear - Unclear 1 [6]
2XOH DM004975 N. A. Unclear 2 [5]
Abrocitinib M7 metabolite DM004978 N. A. Unclear 2 [5]
Abrocitinib M8 metabolite DM004973 N. A. Unclear 2 [5]
M/Z 340-5 DM004981 N. A. Unclear 2 [5]
M/Z 356-1a DM004980 N. A. Unclear 2 [5]
PF-04965842 2xOH DM019541 N. A. Unclear - Unclear 2 [6]
PF-04965842 m/z 340-5 DM019546 N. A. Unclear - Unclear 2 [6]
PF-04965842 m/z 356-1a DM019545 N. A. Unclear - Unclear 2 [6]
PF-04965842 m/z 358-1 DM019543 N. A. Unclear - Unclear 2 [6]
PF-04965842 Metabolites M7 DM019538 N. A. Unclear - Unclear 2 [5]
PF-04965842 Metabolites M8 DM019539 N. A. Unclear - Unclear 2 [6]
3XOH DM004976 N. A. Unclear 3 [5]
Abrocitinib M6 metabolite DM004974 N. A. Unclear 3 [5]
PF-04965842 3xOH DM019542 N. A. Unclear - Unclear 3 [6]
PF-04965842 Metabolites M6 DM016868
165412131
Unclear - Unclear 3 [5]
PF-04965842 Metabolites M6 DM016868
165412131
Unclear - Unclear 3 [6]
⏷ Show the Full List of 28  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005388 PF-04965842 Abrocitinib M4 metabolite Oxidation - Oxidationn CYP2B6 ... [4]
MR005393 PF-04965842 Abrocitinib M1 metabolite Oxidation - Oxidationn CYP2B6 ... [4]
MR005397 PF-04965842 Abrocitinib M2 metabolite Unclear Unclear [5]
MR005400 PF-04965842 Abrocitinib M3 metabolite Unclear Unclear [5]
MR005403 PF-04965842 Abrocitinib M5 metabolite Unclear Unclear [5]
MR012168 PF-04965842 PF-04965842 Metabolites M1 Unclear - Unclear CYP2C9 ... [5]
MR012173 PF-04965842 PF-04965842 Metabolites M4 Unclear - Unclear Unclear [6]
MR012178 PF-04965842 PF-04965842 Metabolites M2 Unclear - Unclear CYP2C9 ... [6]
MR012181 PF-04965842 PF-04965842 Metabolites M3 Unclear - Unclear Unclear [6]
MR012184 PF-04965842 PF-04965842 Metabolites M5 Unclear - Unclear Unclear [6]
MR005394 Abrocitinib M1 metabolite Abrocitinib M7 metabolite Unclear Unclear [5]
MR005396 Abrocitinib M1 metabolite Abrocitinib M8 metabolite Unclear Unclear [5]
MR005398 Abrocitinib M2 metabolite M/Z 356-1a Unclear Unclear [5]
MR005399 Abrocitinib M2 metabolite M/Z 340-5 Unclear Unclear [5]
MR005401 Abrocitinib M3 metabolite M/Z 356-1a Unclear Unclear [5]
MR005402 Abrocitinib M3 metabolite M/Z 340-5 Unclear Unclear [5]
MR005389 Abrocitinib M4 metabolite Abrocitinib M8 metabolite Unclear Unclear [5]
MR005391 Abrocitinib M4 metabolite 2XOH Unclear Unclear [5]
MR012169 PF-04965842 Metabolites M1 PF-04965842 Metabolites M7 Unclear - Unclear Unclear [5]
MR012171 PF-04965842 Metabolites M1 PF-04965842 Metabolites M8 Unclear - Unclear Unclear [6]
MR012179 PF-04965842 Metabolites M2 PF-04965842 m/z 356-1a Unclear - Unclear Unclear [6]
MR012180 PF-04965842 Metabolites M2 PF-04965842 m/z 340-5 Unclear - Unclear Unclear [6]
MR012182 PF-04965842 Metabolites M3 PF-04965842 m/z 356-1a Unclear - Unclear Unclear [6]
MR012183 PF-04965842 Metabolites M3 PF-04965842 m/z 340-5 Unclear - Unclear Unclear [6]
MR012174 PF-04965842 Metabolites M4 PF-04965842 Metabolites M8 Unclear - Unclear Unclear [6]
MR012175 PF-04965842 Metabolites M4 PF-04965842 2xOH Unclear - Unclear Unclear [6]
MR012177 PF-04965842 Metabolites M4 PF-04965842 m/z 358-1 Unclear - Unclear Unclear [6]
MR005392 2XOH 3XOH Unclear Unclear [5]
MR005395 Abrocitinib M7 metabolite Abrocitinib M6 metabolite Unclear Unclear [5]
MR005390 Abrocitinib M8 metabolite Abrocitinib M6 metabolite Unclear Unclear [5]
MR012176 PF-04965842 2xOH PF-04965842 3xOH Unclear - Unclear Unclear [6]
MR012170 PF-04965842 Metabolites M7 PF-04965842 Metabolites M6 Unclear - Unclear Unclear [5]
MR012172 PF-04965842 Metabolites M8 PF-04965842 Metabolites M6 Unclear - Unclear Unclear [6]
⏷ Show the Full List of 33 MR(s)
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]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[3]
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT02201524) Study to Evaluate PF-04965842 in Patients With Moderate to Severe Psoriasis. U.S. National Institutes of Health.
3 Effects of Hepatic Impairment on the Pharmacokinetics of Abrocitinib and Its Metabolites
4 Validation of enantioseparation and quantitation of an active metabolite of abrocitinib in human plasma
5 The Pharmacokinetics, Metabolism, and Clearance Mechanisms of Abrocitinib, a Selective Janus Kinase Inhibitor, in Humans
6 Safety, pharmacokinetics and pharmacodynamics of four-hour intravenous infusions of eritoran in healthy Japanese and Caucasian men

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