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Compound Detail

CHEMBL5969271

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CCOc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1

Basic Information

ChEMBL ID CHEMBL5969271
Phase Preclinical
Structure Type MOL
InChI Key JJWQWGDCLKNBBO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.0
MW (Da)
4.41
ALogP
6
HBA
0
HBD
63.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26ClN5O2
MW 475.98
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -2.12

Activity Summary

IC50 2 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 9
CHEMBL2321614
IC50 7.2 7.2 63.0 1
Potassium channel subfamily K member 3
CHEMBL2321613
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine