PH-797804 - Small Molecule (ID:10439-101)

HMS LINCS ID: 10439-101
Name: PH-797804
Alternative Names:
LINCS ID: LSM-36373
PubChem CID: 22049997
ChEBI ID:
ChEMBL ID:
Molecular Mass: 476.05
InChi: InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
InChi Key: KCAJXIDMCNPGHZ-UHFFFAOYSA-N
SMILES: CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C
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)
MAPK11, MAPK14
3
(equivalent to 1µM ≤ Kd < 10 µM)
MAPK12, ROCK2
10
(confirmed non-binding)

Batch Information for HMSL10439-101-1:

HMS LINCS Batch ID: 10439-101-1
Provider: MedChem Express
Provider Batch ID: 05015
Salt: 101
Molecular Formula: C22H19BrF2N2O3
Molecular Weight: 477.3
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-06-17
Most Recent Update: 2016-04-04

HMS QC Testing Events for HMSL10439-101-1:

Date HMS QC Outcome Comment Files
08/31/2015 PASS HMSL10439-101-1_LCMS.pdf