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Compound Detail

CHEMBL5870683

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O=C(c1cc(F)ccc1Cl)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1

Basic Information

ChEMBL ID CHEMBL5870683
Phase Preclinical
Structure Type MOL
InChI Key GUTFWFIKSYCSDC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
5.41
ALogP
4
HBA
0
HBD
40.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21Cl2FN4O
MW 483.37
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.34

Activity Summary

IC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 9
CHEMBL2321614
IC50 6.96 6.96 110.0 1
Potassium channel subfamily K member 3
CHEMBL2321613
IC50 6.52 6.52 304.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine