Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: IO0DCY55NQ

Structure

InChI Key KKKRKRMVJRHDMG-UHFFFAOYSA-N
Smile Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21
InChI
InChI=1S/C19H18F2N4O3/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18F2N4O3
Molecular Weight 388.37
AlogP 2.99
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 78.27
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1230122
DrugBank DB06518
FDA SRS IO0DCY55NQ
PDB 3FN
PubChem 11406590
SureChEMBL SCHEMBL5120612
ZINC ZINC000058633224
ChEMBL CHEMBL1766582
EPA CompTox DTXSID60712354
FDA SRS IO0DCY55NQ
PubChem 11406590
SureChEMBL SCHEMBL20582726