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Compound Detail

CHEMBL5925518

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COc1ccc(F)c(C(=O)N2C3CCN(Cc4c(-c5ccc(Cl)cc5)nc5ccccn45)CC2COC3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5925518
Phase Preclinical
Structure Type MOL
InChI Key LCTJPPMPLZJFSE-UHFFFAOYSA-N
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

536.0
MW (Da)
4.31
ALogP
7
HBA
0
HBD
72.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27ClFN5O3
MW 536.01
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.82

Activity Summary

IC50 8 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 9
CHEMBL2321614
 IC50 8.96 8.72 1.1 3
Potassium channel subfamily K member 3
CHEMBL2321613
 IC50 7.94 7.386 11.4 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium channel subfamily K member 9 IC50 = 1.1 nM 8.96 Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... -
Potassium channel subfamily K member 9 IC50 = 2.5 nM 8.6 Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... -
Potassium channel subfamily K member 9 IC50 = 2.5 nM 8.6 Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... -
Potassium channel subfamily K member 3 IC50 = 11.4 nM 7.94 In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels V... -
Potassium channel subfamily K member 3 IC50 = 17.6 nM 7.75 In Vitro Electrophysiological Analysis of the Human TASK-1 and TASK-3 Channels V... -
Potassium channel subfamily K member 3 IC50 = 60.5 nM 7.22 Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... -
Potassium channel subfamily K member 3 IC50 = 85.0 nM 7.07 Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... -
Potassium channel subfamily K member 3 IC50 = 113.0 nM 6.95 Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... -

Data from ChEMBL 36 via Core Engine