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Compound Detail

CHEMBL44348

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Cc1cc2cc(CP(=O)(O)O)c(C[C@@H](N)C(=O)O)nc2cc1C

Basic Information

ChEMBL ID CHEMBL44348
Phase Preclinical
Structure Type MOL
InChI Key QBJXICJQDYUSFC-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
1.48
ALogP
4
HBA
4
HBD
133.7
PSA (Ų)
0.61
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 C15H19N2O5P
MW 338.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.10

Activity Summary

Ki 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 5.0 nM 8.3 Binding affinity to the glutamate site of the NMDA receptor was measured by comp... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00288-0 Glutamate NMDA receptor 1
- 10.1016/0960-894X(96)00288-0 Mus musculus 1

Data from ChEMBL 36 via Core Engine