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Compound Detail

CHEMBL492156

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CC(C)(CO)NCc1cc2c(o1)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492156
Phase Preclinical
Structure Type MOL
InChI Key AMUURBBVXLUMHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
1.92
ALogP
5
HBA
2
HBD
79.5
PSA (Ų)
0.77
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 C17H17NO4
MW 299.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.53

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.4 5.4 4000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 4000.0 nM 5.4 Cytotoxicity against rat H4IIE cells by XTT assay 10425117

Literature References

PubMed DOI Target Context # Activities
10425117 10.1021/np9900019 Saccharomyces cerevisiae 2
10425117 10.1021/np9900019 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine