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Compound Detail

CHEMBL321345

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

Basic Information

ChEMBL ID CHEMBL321345
Phase Preclinical
Structure Type MOL
InChI Key XVHAICNXHFWMSC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.2
MW (Da)
5.43
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.53
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 C18H13Cl2F3N2O2
MW 417.21
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.55

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