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

CHEMBL3322863

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
Nc1cccc(C(=O)O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3322863
Phase Preclinical
Structure Type MOL
InChI Key NMCKJFCJIHCHIS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

138.1
MW (Da)
0.36
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H6N2O2
MW 138.13
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
25038482 10.1016/j.ejmech.2014.07.039 GABA-A receptor; anion channel 1
26322531 10.1021/acs.jmedchem.5b00871 D-amino-acid oxidase 1
26322531 10.1021/acs.jmedchem.5b00871 D-aspartate oxidase 1

Data from ChEMBL 36 via Core Engine