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

CHEMBL308094

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
O=C(O)c1cc(C(=O)O)c2cc(/C=C/c3ccc(-c4ccccc4)cc3)ccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL308094
Phase Preclinical
Structure Type MOL
InChI Key MQXOORFWCLUCNF-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
5.47
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17NO4
MW 395.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.20

Activity Summary

Ki 1 meas. best 4.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vesicular glutamate transporter 3
CHEMBL3472
 Ki 4.19 4.19 64000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vesicular glutamate transporter 3 Ki = 64000.0 nM 4.19 Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), usin... 12014964

Literature References

PubMed DOI Target Context # Activities
12014964 10.1021/jm010261z Vesicular glutamate transporter 3 2

Data from ChEMBL 36 via Core Engine