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Compound Detail

CHEMBL464510

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Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5)cc4F)c3s2)c1

Basic Information

ChEMBL ID CHEMBL464510
Phase Preclinical
Structure Type MOL
InChI Key QVLIPUSWOSVZPQ-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

501.5
MW (Da)
5.60
ALogP
7
HBA
2
HBD
98.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20FN5O3S
MW 501.54
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.36

Activity Summary

IC50 6 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.82 7.76 15.0 2
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.55 7.2825 28.0 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19211249 10.1016/j.bmcl.2009.01.068 Hepatocyte growth factor receptor 2
19211249 10.1016/j.bmcl.2009.01.068 Vascular endothelial growth factor receptor 2 1
20071170 10.1016/j.bmcl.2009.12.099 Vascular endothelial growth factor receptor 2 1
20071170 10.1016/j.bmcl.2009.12.099 Hepatocyte growth factor receptor 1
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine