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Compound Detail

CHEMBL293721

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CCCCCC/N=c1\ccn(Cc2ccccc2)c2ccc(OC)cc12

Basic Information

ChEMBL ID CHEMBL293721
Phase Preclinical
Structure Type MOL
InChI Key AKTUPZSAOZHNRV-ZNTNEXAZSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
5.18
ALogP
3
HBA
0
HBD
26.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N2O
MW 348.49
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.65

Activity Summary

IC50 3 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
IC50 7.33 6.95 47.0 2
Unchecked
CHEMBL612545
IC50 6.17 6.17 680.0 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 2
7540207 10.1021/jm00011a007 Unchecked 1

Data from ChEMBL 36 via Core Engine