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Compound Detail

CHEMBL2171369

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CCOC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171369
Phase Preclinical
Structure Type MOL
InChI Key UACGLPKDURXNGV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.2
MW (Da)
2.23
ALogP
5
HBA
0
HBD
73.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10O5
MW 270.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.45

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HaCaT
CHEMBL614392
 IC50 6.21 6.21 610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HaCaT IC50 = 610.0 nM 6.21 Antihyperproliferative activity against human HaCaT cells after 48 hrs by phase ... 22845014

Literature References

PubMed DOI Target Context # Activities
22845014 10.1021/jm3009597 HaCaT 2

Data from ChEMBL 36 via Core Engine