PH-797804

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GEL7GRJ3R6

Structure
InChI Key KCAJXIDMCNPGHZ-UHFFFAOYSA-N
Smile CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H19BrF2N2O3
Molecular Weight 477.31
AlogP 4.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 60.33
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR MAP kinase p38 alpha inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 1-247 3 3-6 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Osteoarthritis 2 D010003 ClinicalTrials
Neuralgia, Postherpetic 2 D051474 ClinicalTrials
Pain 1 D010146 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 82715
ChEMBL CHEMBL1088751
DrugBank DB07941
EPA CompTox DTXSID70207342
FDA SRS GEL7GRJ3R6
Guide to Pharmacology 7818
PDB I45
SureChEMBL SCHEMBL2015676
ZINC ZINC000013980453
CONTENTS