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Compound Detail

CHEMBL3678273

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COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1

Basic Information

ChEMBL ID CHEMBL3678273
Phase Preclinical
Structure Type MOL
InChI Key CSKLRKQUNQCFCW-UHFFFAOYSA-N
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.2
MW (Da)
4.87
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13Cl2FN2O4
MW 423.23
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.30

Activity Summary

IC50 7 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 10 subunit alpha
CHEMBL4017
IC50 9.0 9.0 1.0 2
Sodium channel protein type 8 subunit alpha
CHEMBL5202
IC50 9.0 9.0 1.0 1
Sodium channel protein type 10 subunit alpha
CHEMBL5451
IC50 9.0 9.0 1.0 1
Unchecked
CHEMBL612545
IC50 9.0 9.0 1.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine