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Quick search ChEMBL 36
Compound Detail

CHEMBL460296

FENOPROP
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CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL460296
Name FENOPROP
Phase Preclinical
Structure Type MOL
InChI Key ZLSWBLPERHFHIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

269.5
MW (Da)
3.50
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H7Cl3O3
MW 269.51
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 5.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.24 5.24 5700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5700.0 nM 5.24 Antagonist activity at human T1R2/T1R3 receptor expressed in HEK293E cells asses... 19817384

Literature References

PubMed DOI Target Context # Activities
19817384 10.1021/jm900823s Unchecked 2
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine