General Information of the Compound
Compound ID
CP0043052
Compound Name
FORETINIB
    Show/Hide
Synonyms
88Z
GSK 089
GSK 1363089
GSK1363089
GSK1363089, GSK089, foretinib, EXEL-2880, XL880
MET inhibitors
XL 880
XL880
    Show/Hide
Structure
Formula
C34H34F2N4O6
Molecular Weight
632.664
Canonical SMILES
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
    Show/Hide
InChI
InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
    Show/Hide
InChIKey
CXQHYVUVSFXTMY-UHFFFAOYSA-N
CAS
849217-64-7
Physicochemical Property
logP
5.7724
Rotatable Bonds
12
Heavy Atom Count
46
Polar Areas
111.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
46

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 42642645
SID: 81082087
ChEMBL ID
CHEMBL1230609
DrugBank ID
DB12307
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: PT01201, Hepatocyte growth factor receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 9.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.4 nM
2 IC50 = 0.5 nM
3 IC50 = 1.1 nM
4 IC50 = 1.14 nM
5 IC50 = 1.16 nM
6 IC50 = 1.24 nM
7 IC50 = 1.41 nM
8 IC50 = 1.43 nM
9 IC50 = 1.48 nM
10 IC50 = 1.56 nM
11 IC50 = 1.63 nM
12 IC50 = 1.64 nM
13 IC50 = 1.65 nM
14 IC50 = 1.75 nM
15 IC50 = 1.76 nM
16 IC50 = 1.83 nM
17 IC50 = 1.84 nM
18 IC50 = 1.86 nM
19 IC50 = 1.92 nM
20 IC50 = 1.93 nM
21 IC50 = 2.05 nM
22 IC50 = 2.11 nM
23 IC50 = 2.15 nM
24 IC50 = 3.2 nM
25 IC50 = 4 nM
26 IC50 = 7.9 nM
27 IC50 = 14 nM
28 IC50 = 19 nM
29 Kd = 0.82 nM
30 Kd = 1 nM
31 Kd = 1.4 nM
Protein ID: PT01061, Proto-oncogene tyrosine-protein kinase ROS
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3
 Cell Line Info 
Mus musculus (Mouse)  1
1
IC50 = 10 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 14 nM
2 Ki = 8.2 nM
3 Ki = 16 nM
4 Ki = 20 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000246 NCI-H292
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 >= 50 nM
   TI
   LI
   LO
   TS
CL000749 HUVEC-C
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 17.8 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( XL880 )
Drug Name XL880
Company Exelixis; GlaxoSmithKline
Indication
Squamous head and neck cell carcinom
Phase 2
Renal cell carcinoma
Phase 2
Gastric adenocarcinoma
Phase 2
Renal cell carcinoma
Phase 2
Breast cancer
Phase 2
Solid tumour/cancer
Phase 1
Target(s)
Vascular endothelial growth factor receptor 2 (KDR)
 Target Info 
Modulator
Proto-oncogene c-Met (MET)
 Target Info 
Modulator