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Compound Detail

CHEMBL213510

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Cc1cccc(NC(=O)Nc2ccc(Cc3nsc4ncnc(N)c34)cc2)c1

Basic Information

ChEMBL ID CHEMBL213510
Phase Preclinical
Structure Type MOL
InChI Key ULCYWFOSWKVQOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
4.21
ALogP
6
HBA
3
HBD
105.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N6OS
MW 390.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.07 5.07 8600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 8600.0 nM 5.07 Inhibition of KDR 16735117

Literature References

PubMed DOI Target Context # Activities
16735117 10.1016/j.bmcl.2006.05.057 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine