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Compound Detail

CHEMBL362486

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COc1ccc(NC(=O)Nc2ccc(Sc3ccnc4cc(OC)c(OC)cc34)cc2)cc1

Basic Information

ChEMBL ID CHEMBL362486
Phase Preclinical
Structure Type MOL
InChI Key JMXMUMZQKWJUAV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
6.06
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O4S
MW 461.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.98

Activity Summary

IC50 2 meas. best 8.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 8.23 8.23 5.9 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15743179 10.1021/jm030427r Vascular endothelial growth factor receptor 2 1
15743179 10.1021/jm030427r Platelet-derived growth factor receptor alpha 1

Data from ChEMBL 36 via Core Engine