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Compound Detail

CHEMBL6001517

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Cc1ccccc1C(=O)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1

Basic Information

ChEMBL ID CHEMBL6001517
Phase Preclinical
Structure Type MOL
InChI Key RRAPZGVQBOJOBI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.4
MW (Da)
5.03
ALogP
4
HBA
0
HBD
40.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25BrN4O
MW 489.42
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.96

Activity Summary

IC50 2 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 9
CHEMBL2321614
IC50 6.51 6.51 310.0 1
Potassium channel subfamily K member 3
CHEMBL2321613
IC50 6.32 6.32 481.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine