Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure

InChI Key JBNWDYGOTHQHOZ-UHFFFAOYSA-N
Smile COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C
InChI
InChI=1S/C27H30FN3O4/c1-29(2)27(34)25(32)22-16-30(3)23-15-24(35-4)21(14-20(22)23)26(33)31-11-9-18(10-12-31)13-17-5-7-19(28)8-6-17/h5-8,14-16,18H,9-13H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30FN3O4
Molecular Weight 479.55
AlogP 3.69
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 71.85
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1614702
SureChEMBL SCHEMBL2043229
ZINC ZINC000006718475