Details of the Drug

General Information of Drug (ID: DMYKNME)

Drug Name
Ritlecitinib
Synonyms
PF-06651600; CBRJPFGIXUFMTM-WDEREUQCSA-N; 1792180-81-4; UNII-2OYE00PC25; 2OYE00PC25; PF06651600; 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one; GTPL9559; SCHEMBL16764638; BCP24778; EX-A2613; ZINC526061581; example 5 [WO2015083028]; ACN-040697; compound 11 [PMID: 28139931]; HY-100754; CS-0020243; 1-[(2S,5R)-2-Methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1-piperidinyl]-2-propen-1-one malonate; 1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one
Indication
Disease Entry ICD 11 Status REF
Alopecia areata ED70.2 Approved [1]
Alopecia ED70 Phase 2/3 [2]
Asthma CA23 Phase 2 [3]
Crohn disease DD70 Phase 1 [4]
Affected Organisms
Humans and other mammals
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 285.34
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H19N5O
IUPAC Name
1-[(2S,5R)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one
Canonical SMILES
C[C@H]1CC[C@H](CN1C(=O)C=C)NC2=NC=NC3=C2C=CN3
InChI
InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1
InChIKey
CBRJPFGIXUFMTM-WDEREUQCSA-N
Cross-matching ID
PubChem CID
118115473
ChEBI ID
CHEMBL4085457
CAS Number
1792180-81-4
UNII
2OYE00PC25
DrugBank ID
DB14924
TTD ID
D02TUL
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Janus kinase 3 (JAK-3) TTT7PJU JAK3_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Alopecia areata
ICD Disease Classification ED70.2
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Janus kinase 3 (JAK-3) DTT JAK3 4.94E-03 0.28 1.41
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2023. Application Number: 215830
2 ClinicalTrials.gov (NCT03732807) PF-06651600 for the Treatment of Alopecia Areata (ALLEGRO-2b/3). U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)