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

CHEMBL354295

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
C[C@@H](NCc1cc(I)cc2nc(O)c(O)nc12)P(=O)(O)O

Basic Information

ChEMBL ID CHEMBL354295
Phase Preclinical
Structure Type MOL
InChI Key OQCIHSFMLURANM-YFKPBYRVSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

425.1
MW (Da)
1.26
ALogP
6
HBA
5
HBD
135.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13IN3O5P
MW 425.12
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.39

Activity Summary

IC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL2015
IC50 8.1 8.1 8.0 1
Glutamate receptor ionotropic AMPA
CHEMBL2096670
IC50 6.47 6.47 340.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10636248 10.1016/s0960-894x(99)00576-4 Mus musculus 35
10636248 10.1016/s0960-894x(99)00576-4 No relevant target 7
10636248 10.1016/s0960-894x(99)00576-4 Glutamate [NMDA] receptor 2
10636248 10.1016/s0960-894x(99)00576-4 Glutamate receptor ionotropic, NMDA 1 1
10636248 10.1016/s0960-894x(99)00576-4 Glutamate receptor ionotropic AMPA 1
10636248 10.1016/s0960-894x(99)00576-4 Glutamate receptor ionotropic kainate 1

Data from ChEMBL 36 via Core Engine