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

CHEMBL84445

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
CCOC(=O)[C@@H](C)NC(=O)C(=O)c1c[nH]c2ccc(OC)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL84445
Phase Preclinical
Structure Type MOL
InChI Key KLGWKRUYQPQZBZ-SECBINFHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
1.43
ALogP
5
HBA
2
HBD
97.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O5
MW 318.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.59

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2555510 10.1021/jm00132a004 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine