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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H26ClF2N5O2
Molecular Weight 489.945
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AK-01

SMILES

C[C@@H]1C[C@@](CC2=NC(NC3=NNC(C)=C3)=CC=C2F)(CCN1CC4=CC=CC(Cl)=C4F)C(O)=O

InChI

InChIKey=YQQZZYYQTCPEAS-OYLFLEFRSA-N
InChI=1S/C24H26ClF2N5O2/c1-14-10-21(31-30-14)29-20-7-6-18(26)19(28-20)12-24(23(33)34)8-9-32(15(2)11-24)13-16-4-3-5-17(25)22(16)27/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H26ClF2N5O2
Molecular Weight 489.945
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:40:48 UTC 2023
Edited
by admin
on Sat Dec 16 14:40:48 UTC 2023
Record UNII
1WX8O5XV4R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AK-01
Code English
1-((3-CHLORO-2-FLUOROPHENYL)METHYL)-4-((3-FLUORO-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-2-PYRIDINYL)METHYL)-2-METHYL-, (2R,4R)-,4-PIPERIDINECARBOXYLIC ACID
Systematic Name English
LY3295668
Code English
AURORA A KINASE INHIBITOR LY3295668
Common Name English
4-PIPERIDINECARBOXYLIC ACID, 1-((3-CHLORO-2-FLUOROPHENYL)METHYL)-4-((3-FLUORO-6-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-2-PYRIDINYL)METHYL)-2-METHYL-, (2R,4R)-
Systematic Name English
LY-3295668
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 724119
Created by admin on Sat Dec 16 14:40:48 UTC 2023 , Edited by admin on Sat Dec 16 14:40:48 UTC 2023
Code System Code Type Description
CAS
1919888-06-4
Created by admin on Sat Dec 16 14:40:48 UTC 2023 , Edited by admin on Sat Dec 16 14:40:48 UTC 2023
PRIMARY
NCI_THESAURUS
C148501
Created by admin on Sat Dec 16 14:40:48 UTC 2023 , Edited by admin on Sat Dec 16 14:40:48 UTC 2023
PRIMARY
PUBCHEM
121333423
Created by admin on Sat Dec 16 14:40:48 UTC 2023 , Edited by admin on Sat Dec 16 14:40:48 UTC 2023
PRIMARY
FDA UNII
1WX8O5XV4R
Created by admin on Sat Dec 16 14:40:48 UTC 2023 , Edited by admin on Sat Dec 16 14:40:48 UTC 2023
PRIMARY
SMS_ID
300000041409
Created by admin on Sat Dec 16 14:40:48 UTC 2023 , Edited by admin on Sat Dec 16 14:40:48 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
96 out of 348 cell lines displayed significant sensitivity (absolute IC50 < 0.4 μM) to LY3295668. The majority of the small cell lung cancer and neuroblastoma cell lines are sensitive to LY3295668 treatment. Significant association between Rb1 mutations and sensitivity to LY3295668 was identified.
IC50
TARGET->WEAK INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY