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Compound Detail

CHEMBL107295

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CCOC(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107295
Phase Preclinical
Structure Type MOL
InChI Key VLKINUOIOAHQAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.7
MW (Da)
5.07
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13Cl3N2O2
MW 383.66
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
9301675 10.1021/jm970112+ GABA-A receptor; anion channel 1
9301675 10.1021/jm970112+ Translocator protein 1

Data from ChEMBL 36 via Core Engine