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

CHEMBL1288286

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
CC(C)(C)c1cc(Cn2c(C(=O)O)c(CCS)c3ccccc32)cc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1288286
Phase Preclinical
Structure Type MOL
InChI Key MRFLHEVHDOLRSP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
4.86
ALogP
4
HBA
3
HBD
79.5
PSA (Ų)
0.51
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 C23H25NO4S
MW 411.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate carboxypeptidase 2
CHEMBL1892
 IC50 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate carboxypeptidase 2 IC50 = 34.0 nM 7.47 Inhibition of GCP2 by top scintillation counter in presence of 30 nM NAA[3]G 21074428

Literature References

PubMed DOI Target Context # Activities
21074428 10.1016/j.bmcl.2010.10.109 Glutamate carboxypeptidase 2 1

Data from ChEMBL 36 via Core Engine