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Compound Detail

CHEMBL202234

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CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2cnoc2)cc1

Basic Information

ChEMBL ID CHEMBL202234
Phase Preclinical
Structure Type MOL
InChI Key FQOHPYXGUDBOTN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
4.47
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O2S
MW 355.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.41

Activity Summary

IC50 2 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.84 5.815 1450.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16275072 10.1016/j.bmcl.2005.10.058 Vascular endothelial growth factor receptor 2 2
16275072 10.1016/j.bmcl.2005.10.058 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine