LOSMAPIMOD

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Synonyms
Status
Molecule Category Free-form
UNII F2DQF16BXE

Structure

InChI Key KKYABQBFGDZVNQ-UHFFFAOYSA-N
Smiles Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1
InChI
InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H26FN3O2
Molecular Weight 383.47
AlogP 3.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 71.09
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
MAP kinase p38 alpha inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- 25.12-100 - 7.943-63.1 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 25.12-100 - - -

Target Conservation

Protein: MAP kinase p38 beta
Description: Mitogen-activated protein kinase 11
Organism : Homo sapiens
Q15759 ENSG00000185386
Protein: MAP kinase p38 alpha
Description: Mitogen-activated protein kinase 14
Organism : Homo sapiens
Q16539 ENSG00000112062

Cross References

Resources Reference
ChEBI 131167
ChEMBL CHEMBL1088752
DrugBank DB12270
FDA SRS F2DQF16BXE
Guide to Pharmacology 7835
PubChem 11552706
SureChEMBL SCHEMBL1070401
ZINC ZINC000035793138
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