Moehs Deucravacitinib Moehs Deucravacitinib

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Deucravacitinib
Also known as: Bms-986165, 1609392-27-9, Tyk2-in-4, Bms986165, Deucravacitinib [usan], N0a21n6rau
Molecular Formula
C20H22N8O3
Molecular Weight
425.5  g/mol
InChI Key
BZZKEPGENYLQSC-FIBGUPNXSA-N
FDA UNII
N0A21N6RAU

Deucravacitinib is under investigation in clinical trial NCT04772079 (A Study to Evaluate the Drug Levels, Efficacy and Safety of BMS-986165 in Adolescent Participants With Moderate to Severe Plaque Psoriasis).
1 2D Structure

Deucravacitinib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
2.1.2 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
2.1.3 InChI Key
BZZKEPGENYLQSC-FIBGUPNXSA-N
2.1.4 Canonical SMILES
CNC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4
2.1.5 Isomeric SMILES
[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4
2.2 Other Identifiers
2.2.1 UNII
N0A21N6RAU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Bms-986165

2.3.2 Depositor-Supplied Synonyms

1. Bms-986165

2. 1609392-27-9

3. Tyk2-in-4

4. Bms986165

5. Deucravacitinib [usan]

6. N0a21n6rau

7. 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-n-(trideuteriomethyl)pyridazine-3-carboxamide

8. Deucravacitinib (usan)

9. Sotyktu

10. Unii-n0a21n6rau

11. Deucravacitinib [inn]

12. Deucravacitinib [jan]

13. Chembl4435170

14. Deucravacitinib [who-dd]

15. Schembl20520348

16. Gtpl10432

17. Ex-a3154

18. Bdbm50507816

19. Mfcd31715455

20. Nsc825520

21. S8879

22. Tyk2-in-4(bms986165)

23. Who 11342

24. At18623

25. Nsc-825520

26. Compound 11 [pmid: 31318208}

27. Ncgc00687789-01

28. Ac-31543

29. Hy-117287

30. Cs-0065044

31. D11817

32. 3-pyridazinecarboxamide, 6-((cyclopropylcarbonyl)amino)-4-((2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)amino)-n-(methyl-d3)-

33. 3-pyridazinecarboxamide, 6-((cyclopropylcarbonyl)amino]-4-((2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)amino)n-(methyl-d3)-

34. 6-((cyclopropylcarbonyl)amino)-4-((2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)amino)-n-(2h3)methyl-3-pyridazine-carboxamide

35. 6-((cyclopropylcarbonyl)amino]-4-((2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl)amino)-n-((2h3)methyl)pyridazine-3-carboxamide

36. 6-[(cyclopropylcarbonyl)amino]-4-[[2-methoxy-3-(1-methyl-1h-1,2,4-triazol-3-yl)phenyl]amino]-n-(methyl-d3)-3-pyridazinecarboxamide

2.4 Create Date
2018-10-30
3 Chemical and Physical Properties
Molecular Weight 425.5 g/mol
Molecular Formula C20H22N8O3
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass425.20031683 g/mol
Monoisotopic Mass425.20031683 g/mol
Topological Polar Surface Area136 Ų
Heavy Atom Count31
Formal Charge0
Complexity648
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of psoriasis


Treatment of Systemic Lupus Erythematosus (SLE)


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Dermatologic Agents

Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic Agents.)


Protein Kinase Inhibitors

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)


5.2 ATC Code

L - Antineoplastic and immunomodulating agents

L04 - Immunosuppressants

L04A - Immunosuppressants

L04AA - Selective immunosuppressants

L04AA56 - Deucravacitinib


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