FILANESIB

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Synonyms
Status
Molecule Category Free-form
UNII 8A49OSO368
EPA CompTox DTXSID50237086

Structure

InChI Key LLXISKGBWFTGEI-FQEVSTJZSA-N
Smiles CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1
InChI
InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22F2N4O2S
Molecular Weight 420.49
AlogP 3.88
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 71.16
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Kinesin-like protein 1 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- 6-18 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.7-18 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2347655
DrugBank DB06040
FDA SRS 8A49OSO368
PDB GCE
PubChem 44224257
SureChEMBL SCHEMBL368043
ZINC ZINC000043204022
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