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Compound Detail

CHEMBL5278529

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C/C(=C/C=C/C(C)=C/C(=O)O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278529
Phase Preclinical
Structure Type MOL
InChI Key JMPZTWDLOGTBPM-XRYBSMBUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
6.27
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32O2
MW 340.51
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.71

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ME-180
CHEMBL1075499
 IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ME-180 IC50 = 20.0 nM 7.7 Antiproliferative activity against human ME-180 ells assessed as inhibition of c... 33895500

Literature References

PubMed DOI Target Context # Activities
33895500 10.1016/j.ejmech.2021.113451 ME-180 1

Data from ChEMBL 36 via Core Engine