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Compound Detail

CHEMBL3935327

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COc1ccc(Oc2nc3ccccc3nc2C(=O)Nc2ccc(C(=O)O)nc2)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL3935327
Phase Preclinical
Structure Type MOL
InChI Key OFCCNUDBMMUACR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.8
MW (Da)
4.43
ALogP
7
HBA
2
HBD
123.5
PSA (Ų)
0.44
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 C22H15ClN4O5
MW 450.84
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.26

Activity Summary

IC50 2 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel protein type 10 subunit alpha
CHEMBL4017
IC50 7.16 7.16 69.0 1
Unchecked
CHEMBL612545
IC50 7.16 7.16 69.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine