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Compound Detail

CHEMBL74848

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Clc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1

Basic Information

ChEMBL ID CHEMBL74848
Phase Preclinical
Structure Type MOL
InChI Key GNNTUYLPJHMKJZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.8
MW (Da)
5.01
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15ClN4
MW 346.82
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 5.01 5.01 9800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 1 IC50 = 9800.0 nM 5.01 Inhibitory activity against Flt-kinase 10882357

Literature References

PubMed DOI Target Context # Activities
10882357 10.1021/jm9909443 Vascular endothelial growth factor receptor 1 1
10882357 10.1021/jm9909443 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine