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Compound Detail

CHEMBL1432154

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Cc1ccc(C(=O)CC(=O)COc2ccc(Cl)cc2C)cc1

Basic Information

ChEMBL ID CHEMBL1432154
Phase Preclinical
Structure Type MOL
InChI Key JIOMQEKWMYJUHG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.8
MW (Da)
4.18
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClO3
MW 316.78
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.80

Activity Summary

EC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
EC50 6.09 6.09 820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine