Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL104007

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCC(CC)OC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL104007
Phase Preclinical
Structure Type MOL
InChI Key FEYAPTXUJNFUCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
5.58
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.52
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 C20H20Cl2N2O2
MW 391.30
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.13

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