LXH254

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Synonyms
Status
Molecule Category Free-form
UNII 15JL80DG6H

Structure

InChI Key UEPXBTCUIIGYCY-UHFFFAOYSA-N
Smiles Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChI
InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25F3N4O4
Molecular Weight 502.49
AlogP 3.93
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 96.81
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 36.0

Pharmacology

Mechanism of Action Action Reference
B-raf/RAF proto-oncogene serine/threonine-protein kinase inhibitor INHIBITOR PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - 1.8-10 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - 14 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
14 0.2-78 1.3-3.6 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
14-280 0.2-240 1.3-14 - -
Rattus norvegicus
- - - - 70

Cross References

Resources Reference
ChEMBL CHEMBL4583691
FDA SRS 15JL80DG6H
Guide to Pharmacology 10658
PDB K81
SureChEMBL SCHEMBL16094629
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