Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Q3238VQW0N

Structure

InChI Key ORVNHOYNEHYKJG-UHFFFAOYSA-N
Smile Cc1cc(F)ccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChI
InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H19F3N4O3
Molecular Weight 456.42
AlogP 2.94
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 100.27
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 33.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Acute Lung Injury 2 D055371 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2103838
DrugBank DB12140
FDA SRS Q3238VQW0N
Guide to Pharmacology 7815
PubChem 10297982
SureChEMBL SCHEMBL1065268
ZINC ZINC000034997404