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Compound Detail

CHEMBL56124

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CCCCC/N=c1\ccn(C2CCc3ccccc32)c2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL56124
Phase Preclinical
Structure Type MOL
InChI Key LJICSCKXMUQXCM-NJNXFGOHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

364.9
MW (Da)
5.92
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25ClN2
MW 364.92
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.40

Activity Summary

IC50 2 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.06 6.06 870.0 1
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
IC50 5.64 5.64 2300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7540207 10.1021/jm00011a007 Potassium voltage-gated channel subfamily A member 3 1
7540207 10.1021/jm00011a007 Unchecked 1

Data from ChEMBL 36 via Core Engine