BMS-582949

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CR743OME9E

Structure
InChI Key GDTQLZHHDRRBEB-UHFFFAOYSA-N
Smile CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NC4CC4)ccc3C)c2c1C
InChI
InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26N6O2
Molecular Weight 406.49
AlogP 3.12
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 100.42
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
Primary Target
mitogen-activated protein kinase 14
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 18000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 13-13 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 16

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psoriasis 2 D011565 ClinicalTrials
Vascular Diseases 2 D014652 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 623152-17-0
ChEMBL CHEMBL1230065
DrugBank DB12696
EPA CompTox DTXSID90211380
FDA SRS CR743OME9E
Guide to Pharmacology 7838
PDB 38P
PubChem 10409068
SureChEMBL SCHEMBL254996
ZINC ZINC000036475284
CONTENTS