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Compound Detail

CHEMBL275966

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COC(c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O

Basic Information

ChEMBL ID CHEMBL275966
Phase Preclinical
Structure Type MOL
InChI Key GJWASRCPTSMKSF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.2
MW (Da)
0.77
ALogP
8
HBA
4
HBD
176.1
PSA (Ų)
0.36
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 C10H10N3O8P
MW 331.18
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate [NMDA] receptor
CHEMBL2094124
IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11909726 10.1016/s0960-894x(02)00074-4 Glutamate [NMDA] receptor 1
11909726 10.1016/s0960-894x(02)00074-4 Mus musculus 1

Data from ChEMBL 36 via Core Engine