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Compound Detail

CHEMBL68347

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O=C(O)C1CC(CCCP(=O)(O)O)N=CN1

Basic Information

ChEMBL ID CHEMBL68347
Phase Preclinical
Structure Type MOL
InChI Key SDNNGLVVCRGRFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.2
MW (Da)
-0.21
ALogP
4
HBA
4
HBD
119.2
PSA (Ų)
0.50
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 C8H15N2O5P
MW 250.19
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.85

Activity Summary

IC50 1 meas. best 6.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 6.38 6.38 420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 420.0 nM 6.38 Compound was evaluated for its ability to displace [3H]CCP binding for NMDA rece... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81066-0 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine