Luvixasertib

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H30N6O3
Molecular Weight	498.5762
Optical Activity	NONE
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C=CC(=C1)C2=C3N=C(OC4=CN=CC=C4)C=C(NC[C@H]5C[C@@](C)(O)C5)N3N=C2)C(=O)NC6CC6

InChI

InChIKey=PMQUGSPFUBGJCZ-CHOKWEPUSA-N

InChI=1S/C28H30N6O3/c1-17-10-19(5-8-22(17)27(35)32-20-6-7-20)23-16-31-34-24(30-14-18-12-28(2,36)13-18)11-25(33-26(23)34)37-21-4-3-9-29-15-21/h3-5,8-11,15-16,18,20,30,36H,6-7,12-14H2,1-2H3,(H,32,35)/t18-,28+

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Dual specificity protein kinase TTK 4 Target ID: P33981 Gene ID: 7272.0 Gene Symbol: TTK Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/27437075	Inhibitor 8297		0.1 nM [Ki]

Name

Type

Language

Luvixasertib

Official Name

English

CFI402257

Code

English

Benzamide, N-cyclopropyl-4-[7-[[(cis-3-hydroxy-3-methylcyclobutyl)methyl]amino]-5-(3-pyridinyloxy)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-

Systematic Name

English

N-cyclopropyl-4-{7-({[(1s,3s)-3-hydroxy-3- methylcyclobutyl]methyl}amino)-5-[(pyridin-3- yl)oxy]pyrazolo[1,5-a]pyrimidin-3-yl}-2- methylbenzamide

Systematic Name

English

luvixasertib [INN]

Common Name

English

CFI-402257

Code

English

N-Cyclopropyl-4-[7-[[(cis-3-hydroxy-3-methylcyclobutyl)methyl]amino]-5-(3-pyridinyloxy)pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide

Systematic Name

English

Code System Code Type Description

INN

12323