LIFIRAFENIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 8762XZS5ZF

Structure

InChI Key NGFFVZQXSRKHBM-FKBYEOEOSA-N
Smiles O=C1CCc2c(Oc3ccc4c(c3)[C@@H]3[C@H](O4)[C@H]3c3nc4cc(C(F)(F)F)ccc4[nH]3)ccnc2N1
InChI
InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H17F3N4O3
Molecular Weight 478.43
AlogP 5.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 89.13
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase B-raf inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- 23 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 23 - - -

Target Conservation

Protein: Serine/threonine-protein kinase B-raf
Description: Serine/threonine-protein kinase B-raf
Organism : Homo sapiens
P15056 ENSG00000157764

Cross References

Resources Reference
ChEMBL CHEMBL4209157
DrugBank DB14773
FDA SRS 8762XZS5ZF
Guide to Pharmacology 8958
PDB 3K3
PubChem 89670174
SureChEMBL SCHEMBL15085288
ZINC ZINC000068764621
CONTENTS