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Compound Detail

CHEMBL5955132

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O=C(c1ccccc1F)N1CCN(Cc2c(-c3ccc(C4CC4)cc3)nc3ccccn23)CC1

Basic Information

ChEMBL ID CHEMBL5955132
Phase Preclinical
Structure Type MOL
InChI Key BPJNIJPQPJGCOQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
4.98
ALogP
4
HBA
0
HBD
40.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27FN4O
MW 454.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.93

Activity Summary

IC50 2 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 9
CHEMBL2321614
IC50 7.96 7.96 11.0 1
Potassium channel subfamily K member 3
CHEMBL2321613
IC50 7.18 7.18 66.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine