DEUCRAVACITINIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22N8O3
Molecular Weight	425.459
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

[2H]C([2H])([2H])NC(=O)C1=C(NC2=CC=CC(C3=NN(C)C=N3)=C2OC)C=C(NC(=O)C4CC4)N=N1

InChI

InChIKey=BZZKEPGENYLQSC-FIBGUPNXSA-N

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

HIDE SMILES / InChI

Molecular Formula	C20H22N8O3
Molecular Weight	425.459
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

C_max

Value	Dose	Co-administered	Analyte	Population
3.33 ng/mL	1 mg single, oral		BMS-986165 plasma	Homo sapiens
19.6 ng/mL	3 mg single, oral		BMS-986165 plasma	Homo sapiens
102 ng/mL	10 mg single, oral		BMS-986165 plasma	Homo sapiens
185 ng/mL	20 mg single, oral		BMS-986165 plasma	Homo sapiens
410 ng/mL	40 mg single, oral		BMS-986165 plasma	Homo sapiens
15.2 ng/mL	2 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
49.6 ng/mL	4 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
70 ng/mL	6 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
126 ng/mL	6 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
117 ng/mL	6 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
41.7 ng/mL	4 mg 1 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
48.2 ng/mL	4 mg 1 times / day multiple, oral	Cyclosporine A	BMS-986165 plasma	Homo sapiens
45 ng/mL	6 mg 1 times / day multiple, oral		DEUCRAVACITINIB plasma	Homo sapiens

AUC

Value	Dose	Co-administered	Analyte	Population
28.2 ng × h/mL	1 mg single, oral		BMS-986165 plasma	Homo sapiens
143 ng × h/mL	3 mg single, oral		BMS-986165 plasma	Homo sapiens
752 ng × h/mL	10 mg single, oral		BMS-986165 plasma	Homo sapiens
1175 ng × h/mL	20 mg single, oral		BMS-986165 plasma	Homo sapiens
3460 ng × h/mL	40 mg single, oral		BMS-986165 plasma	Homo sapiens
90.5 ng × h/mL	2 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
315 ng × h/mL	4 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
429 ng × h/mL	6 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
789 ng × h/mL	6 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
803 ng × h/mL	6 mg 2 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
359 ng × h/mL	4 mg 1 times / day multiple, oral		BMS-986165 plasma	Homo sapiens
463 ng × h/mL	4 mg 1 times / day multiple, oral	Cyclosporine A	BMS-986165 plasma	Homo sapiens
473 ng × h/mL	6 mg 1 times / day multiple, oral		DEUCRAVACITINIB plasma	Homo sapiens

T_1/2

Value	Dose	Analyte	Population
7.93 h	1 mg single, oral	BMS-986165 plasma	Homo sapiens
11 h	3 mg single, oral	BMS-986165 plasma	Homo sapiens
9.87 h	10 mg single, oral	BMS-986165 plasma	Homo sapiens
14.9 h	20 mg single, oral	BMS-986165 plasma	Homo sapiens
15 h	40 mg single, oral	BMS-986165 plasma	Homo sapiens
8.63 h	2 mg 2 times / day multiple, oral	BMS-986165 plasma	Homo sapiens
10.7 h	4 mg 2 times / day multiple, oral	BMS-986165 plasma	Homo sapiens
9.12 h	6 mg 2 times / day multiple, oral	BMS-986165 plasma	Homo sapiens
7.46 h	6 mg 2 times / day multiple, oral	BMS-986165 plasma	Homo sapiens
13.1 h	6 mg 2 times / day multiple, oral	BMS-986165 plasma	Homo sapiens
10 h	6 mg 1 times / day multiple, oral	DEUCRAVACITINIB plasma	Homo sapiens

F_unbound

Value	Dose	Analyte	Population
18%	1 mg single, oral	BMS-986165 plasma	Homo sapiens
10%	1 mg single, oral	BMS-986165 plasma	Homo sapiens
14%	6 mg 1 times / day multiple, oral	DEUCRAVACITINIB plasma	Homo sapiens

Substance Class	Chemical
Record UNII	N0A21N6RAU
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

DEUCRAVACITINIB

Official Name

English

6-((CYCLOPROPYLCARBONYL)AMINO)-4-((2-METHOXY-3-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)AMINO)-N-(2H3)METHYL-3-PYRIDAZINE-CARBOXAMIDE

Systematic Name

English

Deucravacitinib [WHO-DD]

Common Name

English

DEUCRAVACITINIB [JAN]

Common Name

English

DEUCRAVACITINIB [USAN]

Common Name

English

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Code System

Code

Type

Description

FDA UNII

N0A21N6RAU

PRIMARY

RXCUI

2612087

PRIMARY

CAS

1609392-27-9

PRIMARY

DAILYMED

N0A21N6RAU

PRIMARY

INN

11342

PRIMARY

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					47RRR83SK7

INTERFERON ALFA-2A

TARGET -> INHIBITOR

Comments:

INTERFERON STIMULATED REPORTER GENE ASSAY

Interaction Type:

DOWNSTREAM INHIBITOR

Amount:

10 NANOMOLAR (average)


					7B590791ER

INTERLEUKIN-12 HUMAN

TARGET -> INHIBITOR

Interaction Type:

DOWNSTREAM INHIBITOR

Amount:


					IU9PU6XOB6

IL-23

TARGET -> INHIBITOR

Comments:

IL-23 STIMULATED REPORTER GENE ASSAY

Interaction Type:

DOWNSTREAM INHIBITOR

Amount:

12 NANOMOLAR (average)


					V094BEF0W8

NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2

TARGET -> INHIBITOR

Comments:

Tyk2 JH2 ligand

Qualification:

IC50

Amount:

0.19 NANOMOLAR (average)


					V094BEF0W8

NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2

TARGET -> INHIBITOR

Qualification:

Ki

Amount:

0.02 NANOMOLAR (average)

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					N0A21N6RAU

DEUCRAVACITINIB

ACTIVE MOIETY

Amount:

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SMILES

InChI

Approval Year

Cmax

AUC

T1/2

Funbound

C_max

T_1/2

F_unbound