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Compound Detail

CHEMBL74392

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COc1ccc(C(C)NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1OC

Basic Information

ChEMBL ID CHEMBL74392
Phase Preclinical
Structure Type MOL
InChI Key RFPKEKKYNYKWPD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.8
MW (Da)
3.90
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClN2O4
MW 386.84
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.79

Activity Summary

Ki 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2094107
Ki 6.82 6.82 153.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11428922 10.1021/jm010827j GABA-A receptor; anion channel 2

Data from ChEMBL 36 via Core Engine