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Compound Detail

CHEMBL4462961

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O=C1OC(c2ccccc2)C(Cl)=C1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462961
Phase Preclinical
Structure Type MOL
InChI Key DCZUHULHKRPPLT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

229.1
MW (Da)
2.97
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.69
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 C10H6Cl2O2
MW 229.06
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.24

Activity Summary

IC50 2 meas. best 4.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MAC13
CHEMBL614042
 IC50 4.3 4.3 50000.0 1
MAC16
CHEMBL614318
 IC50 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAC13 IC50 = 50000.0 nM 4.3 Antiproliferative activity against mouse MAC13 cells assessed as reduction in ce... 30909021
MAC16 IC50 = 50000.0 nM 4.3 Antiproliferative activity against mouse MAC16 cells assessed as reduction in ce... 30909021

Literature References

PubMed DOI Target Context # Activities
30909021 10.1016/j.ejmech.2019.03.021 MAC16 2
30909021 10.1016/j.ejmech.2019.03.021 MAC13 1

Data from ChEMBL 36 via Core Engine