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Compound Detail

CHEMBL29877

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O=C(O)C1Cc2c(CCP(=O)(O)O)cccc2CN1

Basic Information

ChEMBL ID CHEMBL29877
Phase Preclinical
Structure Type MOL
InChI Key UWMGGKFMOJLPMT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.2
MW (Da)
0.51
ALogP
3
HBA
4
HBD
106.9
PSA (Ų)
0.60
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 C12H16NO5P
MW 285.24
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.81

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 270.0 nM 6.57 Ability to displace [3H]CPP from NMDA receptor in rat brain membrane 1533422

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80088-8 Mus musculus 2
1533422 10.1021/jm00086a004 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine