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Compound Detail

CHEMBL1290471

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Cc1ccc2nc(NC(=O)Cc3csc(NC(=O)Nc4cccc(Cl)c4)n3)sc2c1

Basic Information

ChEMBL ID CHEMBL1290471
Phase Preclinical
Structure Type MOL
InChI Key QVQYFDPFSFJOGP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.0
MW (Da)
5.54
ALogP
6
HBA
3
HBD
96.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClN5O2S2
MW 457.97
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.95

Activity Summary

IC50 1 meas. best 8.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.38 8.38 4.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20869793 10.1016/j.ejmech.2010.09.002 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine