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]
ATC Code
L04AA56: Deucravacitinib
L04AA: Selective immunosuppressants
L04A: IMMUNOSUPPRESSANTS
L04: IMMUNOSUPPRESSANTS
L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
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
UNII
N0A21N6RAU
DrugBank ID
DB16650
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)