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

General Information of Drug (ID: DR1774)
Drug Name
Peficitinib
Synonyms
Peficitinib; Peficitinib (USAN/INN); Peficitinib [USAN:INN]; SB16834; SC-17960; HPH1166CKX; SCHEMBL1154418; SCHEMBL1154421; SCHEMBL4447032; SCHEMBL9990240; SCHEMBL9990248; 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide; 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide; 944118-01-8; 9T6; ASP 015K; ASP-015K; ASP015K; BCP18465; BDBM50124208; CHEMBL3137308; CS-5393; DB11708; GTPL8315; HY-19568; Peficitinb (ASP015K, JNJ-54781532); SCHEMBL17645135; UNII-HPH1166CKX
Indication Rheumatoid arthritis [ICD11: FA20] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 326.4 Topological Polar Surface Area 104
Heavy Atom Count 24 Rotatable Bond Count 3
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
57928403
PubChem SID
137951042 ; 137951123 ; 164180739 ; 173334224 ; 194147758 ; 227392433 ; 227392436 ; 230374902 ; 235335272 ; 235335280 ; 244451093 ; 245539868 ; 246562931 ; 252166527
CAS Number
944118-01-8
TTD Drug ID
D06EIC
Formula
C18H22N4O2
Canonical SMILES
C1C2CC3CC(C2)(CC1C3NC4=C5C=CNC5=NC=C4C(=O)N)O
InChI
1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?
InChIKey
DREIJXJRTLTGJC-JQCLMNFQSA-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
Peficitinib metabolite M10 DM002750 N. A. Unclear 1 [3]
Peficitinib metabolite M12 DM002746 N. A. Unclear 1 [3]
Peficitinib metabolite M13 DM002751 N. A. Unclear 1 [3]
Peficitinib metabolite M3 DM002747 N. A. Unclear 1 [3]
Peficitinib metabolite M5 DM002748 N. A. Unclear 1 [3]
Peficitinib metabolite M6 DM002744 N. A. Unclear 1 [3]
Peficitinib metabolite M7 DM002745 N. A. Unclear 1 [3]
Peficitinib metabolite M8 DM002749 N. A. Unclear 1 [3]
Peficitinib metabolite M9 DM002742 N. A. Unclear 1 [3]
Peficitinib metabolite MH2 DM002739 N. A. Unclear 1 [4]
Peficitinib metabolite MH4 DM002741 N. A. Unclear 1 [4]
Peficitinib metabolite M11 DM002743 N. A. Unclear 2 [3]
Peficitinib metabolite MH1 DM002740 N. A. Unclear 2 [4]
⏷ Show the Full List of 13  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001958 Peficitinib Peficitinib metabolite MH2 Unclear SULT2A1 [4]
MR001959 Peficitinib Peficitinib metabolite MH4 Unclear NNMT [4]
MR001960 Peficitinib Peficitinib metabolite M9 Unclear Unclear [3]
MR001961 Peficitinib Peficitinib metabolite M6 Unclear Unclear [3]
MR001962 Peficitinib Peficitinib metabolite M7 Unclear Unclear [3]
MR001963 Peficitinib Peficitinib metabolite M12 Unclear Unclear [3]
MR001964 Peficitinib Peficitinib metabolite M3 Unclear Unclear [3]
MR001965 Peficitinib Peficitinib metabolite M5 Unclear Unclear [3]
MR001966 Peficitinib Peficitinib metabolite M8 Unclear Unclear [3]
MR001967 Peficitinib Peficitinib metabolite M10 Unclear Unclear [3]
MR001968 Peficitinib Peficitinib metabolite M13 Unclear Unclear [3]
MR001957 Peficitinib metabolite M9 Peficitinib metabolite M11 Unclear Unclear [3]
MR001955 Peficitinib metabolite MH2 Peficitinib metabolite MH1 Unclear NNMT [4]
MR001956 Peficitinib metabolite MH4 Peficitinib metabolite MH1 Unclear SULT2A1 [4]
⏷ Show the Full List of 14 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Nicotinamide N-methyltransferase (NNMT) DME0445 Homo sapiens
NNMT_HUMAN
2.1.1.1
[2]
Sulfotransferase 2A1 (SULT2A1) DME0074 Homo sapiens
ST2A1_HUMAN
2.8.2.14
[2]
References
1 Peficitinib: first global approval. Drugs. 2019 Jun;79(8):887-891.
2 Human mass balance, metabolite profile and identification of metabolic enzymes of [14C]ASP015K, a novel oral janus kinase inhibitor. Xenobiotica. 2015;45(10):887-902.
3 Identification and characterization of metabolites of ASP015K, a novel oral Janus kinase inhibitor, in rats, chimeric mice with humanized liver, and humans Xenobiotica. 2015;45(9):757-65. doi: 10.3109/00498254.2015.1019594.
4 Pharmacokinetics and Safety of a Single Oral Dose of Peficitinib (ASP015K) in Japanese Subjects With Normal and Impaired Hepatic Function Clin Pharmacol Drug Dev. 2020 Aug;9(6):699-708. doi: 10.1002/cpdd.751.

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