DAROVASERTIB

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23F3N8O
Molecular Weight	472.4662
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC1(N)CCN(CC1)C2=CC=CN=C2NC(=O)C3=C(N)N=CC(=N3)C4=C(C=CC=N4)C(F)(F)F

InChI

InChIKey=XXJXHXJWQSCNPX-UHFFFAOYSA-N

InChI=1S/C22H23F3N8O/c1-21(27)6-10-33(11-7-21)15-5-3-9-29-19(15)32-20(34)17-18(26)30-12-14(31-17)16-13(22(23,24)25)4-2-8-28-16/h2-5,8-9,12H,6-7,10-11,27H2,1H3,(H2,26,30)(H,29,32,34)

HIDE SMILES / InChI

Molecular Formula	C22H23F3N8O
Molecular Weight	472.4662
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

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Protein kinase C, PKC; classical/novel 4	Inhibitor 8,504

C_max

Value	Dose	Analyte	Population
776 ng/mL	100 mg single, oral	LXS-196 plasma	Homo sapiens
3540 ng/mL	200 mg single, oral	LXS-196 plasma	Homo sapiens
5580 ng/mL	300 mg single, oral	LXS-196 plasma	Homo sapiens
4970 ng/mL	500 mg single, oral	LXS-196 plasma	Homo sapiens
6080 ng/mL	800 mg single, oral	LXS-196 plasma	Homo sapiens
5410 ng/mL	1000 mg single, oral	LXS-196 plasma	Homo sapiens
4070 ng/mL	200 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
4100 ng/mL	300 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
4350 ng/mL	400 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
1190 ng/mL	100 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
2500 ng/mL	200 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
3860 ng/mL	300 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
4170 ng/mL	500 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
5110 ng/mL	1000 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
2910 ng/mL	200 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
2860 ng/mL	300 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
2100 ng/mL	400 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens

AUC

Value	Dose	Analyte	Population
8640 ng × h/mL	100 mg single, oral	LXS-196 plasma	Homo sapiens
21600 ng × h/mL	200 mg single, oral	LXS-196 plasma	Homo sapiens
51300 ng × h/mL	300 mg single, oral	LXS-196 plasma	Homo sapiens
63400 ng × h/mL	500 mg single, oral	LXS-196 plasma	Homo sapiens
66200 ng × h/mL	800 mg single, oral	LXS-196 plasma	Homo sapiens
78000 ng × h/mL	1000 mg single, oral	LXS-196 plasma	Homo sapiens
29200 ng × h/mL	200 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
35200 ng × h/mL	300 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
30400 ng × h/mL	400 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
10400 ng × h/mL	100 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
13200 ng × h/mL	200 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
30500 ng × h/mL	300 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
45700 ng × h/mL	500 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
48300 ng × h/mL	1000 mg 1 times / day multiple, oral	LXS-196 plasma	Homo sapiens
16900 ng × h/mL	200 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
19100 ng × h/mL	300 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
15900 ng × h/mL	400 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens

T_1/2

Value	Dose	Analyte	Population
8.49 h	100 mg single, oral	LXS-196 plasma	Homo sapiens
8.52 h	200 mg single, oral	LXS-196 plasma	Homo sapiens
10.8 h	300 mg single, oral	LXS-196 plasma	Homo sapiens
10.2 h	500 mg single, oral	LXS-196 plasma	Homo sapiens
8.85 h	800 mg single, oral	LXS-196 plasma	Homo sapiens
10 h	1000 mg single, oral	LXS-196 plasma	Homo sapiens
13.1 h	200 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
12.1 h	300 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens
13.8 h	400 mg 2 times / day multiple, oral	LXS-196 plasma	Homo sapiens

Substance Class	Chemical
Record UNII	E0YF0M8O09
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

IDE-196

Preferred Name

English

DAROVASERTIB

Official Name

English

3-AMINO-N-(3-(4-AMINO-4-METHYLPIPERIDIN-1-YL)PYRIDIN-2-YL)-6-(3-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PYRAZINE-2-CARBOXAMIDE

Systematic Name

English

2-PYRAZINECARBOXAMIDE, 3-AMINO-N-(3-(4-AMINO-4-METHYL-1-PIPERIDINYL)-2-PYRIDINYL)-6-(3-(TRIFLUOROMETHYL)-2-PYRIDINYL)-

Systematic Name

English

LXS196

Code

English

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Classification Tree

Code System

Code

Designated

FDA ORPHAN DRUG

873322

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Code System

Code

Type

Description

PUBCHEM

118873253

PRIMARY

USAN

JK-128

PRIMARY

INN

11415

PRIMARY

SMS_ID

300000027532

PRIMARY

NCI_THESAURUS

C124796

PRIMARY

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Type

Details


					8L9NNL47RZ

PROTEIN KINASE C BETA TYPE

TARGET -> INHIBITOR

Amount:

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Type

Details


					E0YF0M8O09

DAROVASERTIB

ACTIVE MOIETY

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SMILES

InChI

Approval Year

Targets

Cmax

AUC

T1/2

C_max

T_1/2