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Compound Detail

CHEMBL381603

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Clc1ccc2[nH]c(-c3ccccc3Cn3ccc4cnccc43)nc2c1

Basic Information

ChEMBL ID CHEMBL381603
Phase Preclinical
Structure Type MOL
InChI Key JNJLFISRSZHOHY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
5.28
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClN4
MW 358.83
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.58 5.58 2660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16364640 10.1016/j.bmcl.2005.11.105 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine