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Compound Detail

CHEMBL109155

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

Basic Information

ChEMBL ID CHEMBL109155
Phase Preclinical
Structure Type MOL
InChI Key MANUPOBQYQZKEB-NRFANRHFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.9
MW (Da)
4.77
ALogP
4
HBA
1
HBD
67.8
PSA (Ų)
0.59
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 C24H18ClFN2O3
MW 436.87
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.61

Activity Summary

Ki 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL1907607
 Ki 6.75 6.75 176.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GABA-A receptor; anion channel Ki = 176.0 nM 6.75 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