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Compound Detail

CHEMBL298608

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CCCCCCCC/N=c1\ccn(Cc2ccccc2)c2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL298608
Phase Preclinical
Structure Type MOL
InChI Key MRYWVTPIIODRFZ-WNAAXNPUSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.0
MW (Da)
6.60
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29ClN2
MW 380.96
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.74

Activity Summary

IC50 3 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
IC50 6.55 6.505 280.0 2
Unchecked
CHEMBL612545
IC50 5.62 5.62 2400.0 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