Synonyms
Status
Molecule Category Free-form
UNII 3P4CR02JTD

Structure

InChI Key MXNGYQJJYRVGGJ-QFIPXVFZSA-N
Smiles CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChI
InChI=1S/C25H22N2O/c1-2-22(18-11-5-3-6-12-18)27-25(28)21-17-24(19-13-7-4-8-14-19)26-23-16-10-9-15-20(21)23/h3-17,22H,2H2,1H3,(H,27,28)/t22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H22N2O
Molecular Weight 366.46
AlogP 5.78
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 41.99
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 28.0

Pharmacology

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

Target Conservation

Protein: MAP kinase p38 alpha

Description: Mitogen-activated protein kinase 14

Organism : Homo sapiens

Q16539 ENSG00000112062

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL9960
FDA SRS 3P4CR02JTD
PubChem 25143624
SureChEMBL SCHEMBL6447341
ZINC ZINC000002105296