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Compound Detail

CHEMBL324200

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O=C(CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324200
Phase Preclinical
Structure Type MOL
InChI Key XJNKMPVHPAKGLE-QFIPXVFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.9
MW (Da)
5.16
ALogP
4
HBA
1
HBD
67.8
PSA (Ų)
0.53
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 C25H20ClFN2O3
MW 450.90
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.54

Activity Summary

Ki 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
 Ki 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GABA-A receptor; anion channel Ki = 29.0 nM 7.54 Binding affinity to rat benzodiazepine receptor 12372537

Literature References

PubMed DOI Target Context # Activities
12372537 10.1016/s0960-894x(02)00512-7 GABA-A receptor; anion channel 2
12372537 10.1016/s0960-894x(02)00512-7 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine