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Compound Detail

CHEMBL3298141

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CC(C)(CNc1noc2ccccc12)c1ccccc1

Basic Information

ChEMBL ID CHEMBL3298141
Phase Preclinical
Structure Type MOL
InChI Key GTSKFZRBVBRULH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
4.22
ALogP
3
HBA
1
HBD
38.1
PSA (Ų)
0.77
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 C17H18N2O
MW 266.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 6.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 5
CHEMBL4306
IC50 6.11 6.11 784.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24881565 10.1016/j.bmcl.2014.05.035 Potassium voltage-gated channel subfamily A member 5 1
24881565 10.1016/j.bmcl.2014.05.035 ADMET 1

Data from ChEMBL 36 via Core Engine