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Compound Detail

CHEMBL5937118

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O=C(C1CCCCC1)N1CCN(Cc2c(-c3ccc(Br)cc3)nc3ccccn23)CC1

Basic Information

ChEMBL ID CHEMBL5937118
Phase Preclinical
Structure Type MOL
InChI Key AZWVDGXVGBUTCD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

481.4
MW (Da)
4.99
ALogP
4
HBA
0
HBD
40.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29BrN4O
MW 481.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.88

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 9
CHEMBL2321614
IC50 6.7 6.7 200.0 1
Potassium channel subfamily K member 3
CHEMBL2321613
IC50 6.63 6.63 232.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine