Details of the Drug

General Information of Drug (ID: DMAR1YS)

Drug Name
Deucravacitinib
Synonyms BMS-986165
Indication
Disease Entry ICD 11 Status REF
Plaque psoriasis EA90.0 Approved [1]
Psoriasis vulgaris EA90 Phase 3 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 425.5
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C20H22N8O3
IUPAC Name
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
Canonical SMILES
[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4
InChI
InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3
InChIKey
BZZKEPGENYLQSC-FIBGUPNXSA-N
Cross-matching ID
PubChem CID
134821691
CAS Number
1609392-27-9
TTD ID
D0S1XX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
TYK2 tyrosine kinase (TYK2) TTBYWP2 TYK2_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2022. Application Number: 214958.
2 ClinicalTrials.gov (NCT04036435) Long-Term Study That Measures the Safety and Efficacy of BMS-986165 in Participants With Psoriasis.. U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)