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Compound Detail

CHEMBL271167

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c1ccc(C(C2=NCCO2)(c2ccccc2)c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL271167
Phase Preclinical
Structure Type MOL
InChI Key PHFOYYZFWZIUBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
4.45
ALogP
2
HBA
0
HBD
21.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19NO
MW 313.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 5.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Intermediate conductance calcium-activated potassium channel protein 4
CHEMBL4305
IC50 5.37 5.37 4300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18232633 10.1021/jm070663s Intermediate conductance calcium-activated potassium channel protein 4 1

Data from ChEMBL 36 via Core Engine