General Information of the Compound
Compound ID
CP0153674
Compound Name
KX-02
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Synonyms
KX-02
KX2-361
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Structure
Formula
C24H24FN3O2
Molecular Weight
405.473
Canonical SMILES
Fc1cccc(CNC(=O)Cc2ccc(cn2)-c2ccc(cc2)N2CCOCC2)c1
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InChI
InChI=1S/C24H24FN3O2/c25-21-3-1-2-18(14-21)16-27-24(29)15-22-7-4-20(17-26-22)19-5-8-23(9-6-19)28-10-12-30-13-11-28/h1-9,14,17H,10-13,15-16H2,(H,27,29)
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InChIKey
CMKKPJNMYLOUCE-UHFFFAOYSA-N
CAS
897016-26-1
Physicochemical Property
logP
3.5832
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11545920
SID: 16648098
ChEMBL ID
CHEMBL4297299
DrugBank ID
DB17180
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02255, Proto-oncogene tyrosine-protein kinase Src
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000576 GL261 Mus musculus (Mouse)  1
1
IC50 = 60 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000424 LN-18 Homo sapiens (Human)  1
1
GI50 = 2.9 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( KX2-361 )
Drug Name KX2-361
Company Kinex pharmaceuticals
Indication
Glioblastoma multiforme
Phase 1
Brain cancer
Phase 1
Target(s)
Proto-oncogene c-Src (SRC)
Inhibitor