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Compound Detail

CHEMBL164231

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

Basic Information

ChEMBL ID CHEMBL164231
Phase Preclinical
Structure Type MOL
InChI Key QQTYMXDYFHVSCU-LURJTMIESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.2
MW (Da)
0.53
ALogP
7
HBA
5
HBD
159.6
PSA (Ų)
0.51
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 C12H13N4O5P
MW 324.23
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 7.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL2015
IC50 7.12 7.12 76.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10636248 10.1016/s0960-894x(99)00576-4 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine