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Compound Detail

CHEMBL294373

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CCCCC/N=c1\ccn(Cc2ccc(Cl)cc2)c2c(F)cccc12

Basic Information

ChEMBL ID CHEMBL294373
Phase Preclinical
Structure Type MOL
InChI Key OAODRMULJIORIK-HIXSDJFHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.9
MW (Da)
5.57
ALogP
2
HBA
0
HBD
17.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClFN2
MW 356.87
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.08

Activity Summary

IC50 2 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4633
IC50 6.64 6.64 227.0 1
Unchecked
CHEMBL612545
IC50 6.51 6.51 310.0 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