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Compound Detail

CHEMBL490965

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Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)NC(=O)Cc5ccccc5)cc4F)c3s2)c1

Basic Information

ChEMBL ID CHEMBL490965
Phase Preclinical
Structure Type MOL
InChI Key OKCKAUVUVCQSOI-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

501.5
MW (Da)
5.52
ALogP
7
HBA
2
HBD
98.1
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
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 -1.58

Activity Summary

IC50 3 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.6 7.6 25.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.43 7.43 37.0 1

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 1
19211249 10.1016/j.bmcl.2009.01.068 Vascular endothelial growth factor receptor 2 1
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine