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Compound Detail

CHEMBL467235

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N[C@H](CC12CC(CP(=O)(O)O)(C1)C2)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467235
Phase Preclinical
Structure Type MOL
InChI Key RTCJYOUKEOFKFL-KXNKJCORSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

249.2
MW (Da)
0.14
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.51
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 C9H16NO5P
MW 249.20
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.75

Activity Summary

Ki 2 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 Ki 6.14 6.14 730.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 730.0 nM 6.14 Displacement of [3H]CGP39653 from NMDA receptor in rat brain membranes 19042134

Literature References

PubMed DOI Target Context # Activities
19042134 10.1016/j.bmc.2008.11.015 Unchecked 3
19042134 10.1016/j.bmc.2008.11.015 Glutamate NMDA receptor 2
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 2 1
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 1 1
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 5 1
19042134 10.1016/j.bmc.2008.11.015 Metabotropic glutamate receptor 4 1

Data from ChEMBL 36 via Core Engine