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

CHEMBL117174

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
NC(Cc1nc2c(Cl)ccc(Cl)c2nc1CP(=O)(O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117174
Phase Preclinical
Structure Type MOL
InChI Key AUCSMMMJEVXCDU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.1
MW (Da)
1.57
ALogP
5
HBA
4
HBD
146.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12Cl2N3O5P
MW 380.12
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 6.61 6.61 245.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 245.0 nM 6.61 Tested for binding affinity against NMDA receptor, from rat synaptic membrane, u... 8093907

Literature References

PubMed DOI Target Context # Activities
8093907 10.1021/jm00055a004 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine