TAK-632 - Small Molecule (ID:10409-101)

HMS LINCS ID: 10409-101
Name: TAK-632
Alternative Names:
LINCS ID:
PubChem CID: 46209401
ChEBI ID:
ChEMBL ID:
Molecular Mass: 554.10
InChi: InChI=1S/C27H18F4N4O3S/c28-19-7-6-17(12-21(19)33-23(36)11-14-2-1-3-16(10-14)27(29,30)31)38-22-9-8-20-24(18(22)13-32)39-26(34-20)35-25(37)15-4-5-15/h1-3,6-10,12,15H,4-5,11H2,(H,33,36)(H,34,35,37)
InChi Key: OJFKUJDRGJSAQB-UHFFFAOYSA-N
SMILES: C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N
Relevant Citations:
Comments:
Date Publicly Available:
Most Recent Update: 2016-04-04

Target Affinity:

(see Study 20000)
Target Affinity Spectrum Value HUGO Gene Name
1
(Kd <100 nM)
AIM1, AURKB, BRAF, RAF1
2
(equivalent to 100 nM ≤ Kd < 1µM)
CCNA2, CCNB1, CDK1, CDK2, FGFR3, GSK3B, KDR, MAPK14, PDGFA, PDGFB, TEK
3
(equivalent to 1µM ≤ Kd < 10 µM)
CHEK1, IKBKB, MAP2K1
10
(confirmed non-binding)
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Batch Information for HMSL10409-101-1:

HMS LINCS Batch ID: 10409-101-1
Provider: MedChem Express
Provider Batch ID: 10219
Salt: 101
Molecular Formula: C27H18F4N4O3S
Molecular Weight: 554.52
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-08-27
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10409-101-1:

Date HMS QC Outcome Comment Files
08/31/2015 PASS HMSL10409-101-1_LCMS.pdf