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Compound Detail

CHEMBL460466

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CCCn1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)c(=O)n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460466
Phase Preclinical
Structure Type MOL
InChI Key QQANYCOFSUVVIT-UHFFFAOYSA-N
3
Targets
9
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

526.6
MW (Da)
6.10
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H27FN4O4
MW 526.57
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.25

Activity Summary

Ki 5 meas. best 9.0
IC50 4 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 9.0 7.8733 1.0 3
Hepatocyte growth factor receptor
CHEMBL3717
 Ki 9.0 9.0 1.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 6.84 6.84 143.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 Ki 6.79 6.565 161.0 2
Insulin-like growth factor 1 receptor
CHEMBL1957
 Ki 6.38 6.38 419.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor IC50 = 1.0 nM 9.0 Inhibition of human c-MET 21641696
Hepatocyte growth factor receptor Ki = 1.0 nM 9.0 Inhibition of c-Met phosphorylation by HTRF assay 18553959
Hepatocyte growth factor receptor Ki = 1.0 nM 9.0 Inhibition of c-Met by HTRF assay 22320327
Hepatocyte growth factor receptor IC50 = 49.0 nM 7.31 Inhibition of HGF-mediated c-Met phosphorylation in human PC3 cells 18553959
Hepatocyte growth factor receptor IC50 = 48.8 nM 7.31 Inhibition of HGF-mediated c-Met autophosphorylation in human PC3 cells after 10... 22320327
Vascular endothelial growth factor receptor 2 IC50 = 143.0 nM 6.84 Inhibition VEGFR2-mediated survival of HUVEC 18553959
Vascular endothelial growth factor receptor 2 Ki = 161.0 nM 6.79 Inhibition of VEGFR2 by HTRF assay 22320327
Insulin-like growth factor 1 receptor Ki = 419.0 nM 6.38 Inhibition of IGF1R by HTRF assay 22320327
Vascular endothelial growth factor receptor 2 Ki = 460.0 nM 6.34 Inhibition of VEGFR2 by HTRF assay 18553959

Literature References

PubMed DOI Target Context # Activities
18553959 10.1021/jm800401t Hepatocyte growth factor receptor 2
18553959 10.1021/jm800401t Vascular endothelial growth factor receptor 2 2
22320327 10.1021/jm201331s Hepatocyte growth factor receptor 2
22320327 10.1021/jm201331s Unchecked 2
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1
22320327 10.1021/jm201331s Insulin-like growth factor 1 receptor 1
22320327 10.1021/jm201331s Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine