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Compound Detail

CHEMBL29634

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NC(Cc1ccccc1CP(=O)(O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL29634
Phase Preclinical
Structure Type MOL
InChI Key MRGUIJVNFRTRSF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

259.2
MW (Da)
0.32
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.56
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 C10H14NO5P
MW 259.20
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.60

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.08 5.08 8400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 8400.0 nM 5.08 Ability to displace [3H]CPP from NMDA receptor in rat brain membrane 1533422

Literature References

PubMed DOI Target Context # Activities
1386112 10.1021/jm00092a005 Mus musculus 2
1533422 10.1021/jm00086a004 Glutamate NMDA receptor 1
18462943 10.1016/j.bmc.2008.04.015 Unchecked 1

Data from ChEMBL 36 via Core Engine