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Compound Detail

CHEMBL488819

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CCc1ccc2[nH]cc(C(=O)CC(C)CC)c(=O)c2c1

Basic Information

ChEMBL ID CHEMBL488819
Phase Preclinical
Structure Type MOL
InChI Key GFLKFMNNAOMQAG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
3.71
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21NO2
MW 271.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.03

Activity Summary

Ki 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 18.0 nM 7.75 Displacement of [3H]flumazenil from GABAA receptor in rat cortical membrane 18541432

Literature References

PubMed DOI Target Context # Activities
18541432 10.1016/j.bmc.2008.05.049 Unchecked 1

Data from ChEMBL 36 via Core Engine