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Compound Detail

CHEMBL4633448

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CC(=O)c1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL4633448
Phase Preclinical
Structure Type MOL
InChI Key ZDOYHCIRUPHUHN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

154.6
MW (Da)
2.54
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7ClO
MW 154.60
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HepG2
CHEMBL395
IC50 6.01 6.01 984.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HepG2 IC50 = 984.0 nM 6.01 Cytotoxicity against human HepG2 cells assessed as reduction in cell viability b... 30594028

Literature References

PubMed DOI Target Context # Activities
30594028 10.1016/j.ejmech.2018.11.026 HepG2 1

Data from ChEMBL 36 via Core Engine