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Compound Detail

CHEMBL270495

TRIPHENYLACETIC ACID METHYL ESTER
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COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL270495
Name TRIPHENYLACETIC ACID METHYL ESTER
Phase Preclinical
Structure Type MOL
InChI Key ZPGOQUZHRVSLML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
4.19
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.53
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 C21H18O2
MW 302.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Intermediate conductance calcium-activated potassium channel protein 4
CHEMBL4305
IC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18232633 10.1021/jm070663s Intermediate conductance calcium-activated potassium channel protein 4 1

Data from ChEMBL 36 via Core Engine