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Compound Detail

CHEMBL189125

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Nc1ncc(NCCCO)cc1-c1cncc(Nc2cccc(Cl)c2)n1

Basic Information

ChEMBL ID CHEMBL189125
Phase Preclinical
Structure Type MOL
InChI Key HWMHBHCITCJTIA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.8
MW (Da)
3.31
ALogP
7
HBA
4
HBD
109.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClN6O
MW 370.84
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.30

Activity Summary

IC50 2 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.87 5.87 1349.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16033269 10.1021/jm058205b Vascular endothelial growth factor receptor 2 3
16033269 10.1021/jm058205b Unchecked 1

Data from ChEMBL 36 via Core Engine