R-1487

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII IO0DCY55NQ

Structure

InChI Key KKKRKRMVJRHDMG-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
MAP kinase p38 alpha inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - 73 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 150 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group
- - 320 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - 73 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 150 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - 3-29 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase nmo subfamily
- - 6 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 10 0.2-29 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 680 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase ULK family
- - 330 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 270 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 10-170 - - -
Rattus norvegicus
10-30 - - - 68

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 CHEMBL1230122
DrugBank DB06518
FDA SRS IO0DCY55NQ
PDB 3FN
PubChem 11406590
SureChEMBL SCHEMBL5120612
ZINC ZINC000058633224
ChEMBL CHEMBL1766582
FDA SRS IO0DCY55NQ
PubChem 11406590
SureChEMBL SCHEMBL20582726
CONTENTS