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Compound Detail

CHEMBL202384

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CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL202384
Phase Preclinical
Structure Type MOL
InChI Key LDIWKOWDWDYZMW-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
4.87
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.70
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 C21H23N3OS
MW 365.50
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.37

Activity Summary

IC50 3 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.14 7.05 73.0 2
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.14 6.14 720.0 1

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