CG-930 - Small Molecule (ID:10058-101)

HMS LINCS ID: 10058-101
Name: CG-930
Alternative Names: JNK930
LINCS ID: LSM-1058
PubChem CID: 57394468
ChEBI ID:
ChEMBL ID:
Molecular Mass: 448.18
InChi: InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m1/s1
InChi Key: IBGLGMOPHJQDJB-ROKHWSDSSA-N
SMILES: C1COC[C@@H]1N2C3=NC(=NC=C3N=C2NC4=C(C=C(C=C4F)F)F)NC5CCC(CC5)O
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)
MAPK10, MAPK8, MAPK9
2
(equivalent to 100 nM ≤ Kd < 1µM)
EGFR, MAPK3
3
(equivalent to 1µM ≤ Kd < 10 µM)
MAPK14
10
(confirmed non-binding)
(Click to show)

Batch Information for HMSL10058-101-1:

HMS LINCS Batch ID: 10058-101-1
Provider: Nathanael Gray (DFCI)
Provider Batch ID: JNK-930-1
Salt: 101
Molecular Formula: C21H23F3N6O2
Molecular Weight: 448.44
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2011-07-15
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10058-101-1:

Date HMS QC Outcome Comment Files
03/13/2015 PASS HMSL10058-101-1_LCMS.pdf