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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 of Luvixasertib

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

Molecular Formula C28H30N6O3
Molecular Weight 498.5762
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P33981
Gene ID: 7272.0
Gene Symbol: TTK
Target Organism: Homo sapiens (Human)
0.1 nM [Ki]
Substance Class Chemical
Created
by admin
on Fri Jul 07 00:20:18 UTC 2023
Edited
by admin
on Fri Jul 07 00:20:18 UTC 2023
Record UNII
HE97PTK3Q6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Luvixasertib
INN  
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
Created by admin on Fri Jul 07 00:20:18 UTC 2023 , Edited by admin on Fri Jul 07 00:20:18 UTC 2023
PRIMARY
CAS
1610759-22-2
Created by admin on Fri Jul 07 00:20:18 UTC 2023 , Edited by admin on Fri Jul 07 00:20:18 UTC 2023
PRIMARY
FDA UNII
HE97PTK3Q6
Created by admin on Fri Jul 07 00:20:18 UTC 2023 , Edited by admin on Fri Jul 07 00:20:18 UTC 2023
PRIMARY
SMS_ID
300000045576
Created by admin on Fri Jul 07 00:20:18 UTC 2023 , Edited by admin on Fri Jul 07 00:20:18 UTC 2023
PRIMARY
NCI_THESAURUS
C128288
Created by admin on Fri Jul 07 00:20:18 UTC 2023 , Edited by admin on Fri Jul 07 00:20:18 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY