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Compound Detail

CHEMBL5833962

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O=C(c1cccc(OC(F)F)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1

Basic Information

ChEMBL ID CHEMBL5833962
Phase Preclinical
Structure Type MOL
InChI Key RJPNKTDXJLNQEV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

497.9
MW (Da)
4.61
ALogP
6
HBA
0
HBD
63.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22ClF2N5O2
MW 497.93
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -2.15

Activity Summary

IC50 2 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 9
CHEMBL2321614
IC50 7.77 7.77 17.0 1
Potassium channel subfamily K member 3
CHEMBL2321613
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine