PF-03715455

Search structure


Synonyms:	Pf-03715455
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	0TJ631J0KP

Structure


InChI Key	VGEXRDWWPSGZDH-UHFFFAOYSA-N
Smile	CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc(O)c(Cl)c2)n1
InChI	InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C35H34ClN7O3S2
Molecular Weight	700.29
AlogP	7.8
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	129.6
Molecular species	NEUTRAL
Aromatic Rings	6.0
Heavy Atoms	48.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	MAP kinase p38 alpha inhibitor	PubMed Other

	Primary Target
mitogen-activated protein kinase 14

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	-	23	0	-	-
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily	-	6	-	-	-
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family	-	890	-	-	-
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	-	-	-	46

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Pulmonary Disease, Chronic Obstructive	2	D029424	ClinicalTrials
Asthma	2	D001249	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	1056164-52-3
ChEMBL	CHEMBL1938400
DrugBank	DB12138
EPA CompTox	DTXSID70147214
FDA SRS	0TJ631J0KP
Guide to Pharmacology	8179
PDB	YIS
PubChem	11714580
SureChEMBL	SCHEMBL981777

CONTENTS