Compound Detail
CHEMBL329680
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Basic Information
| ChEMBL ID | CHEMBL329680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUEPJLKZPWHSHG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
256.1
MW (Da)
1.51
ALogP
5
HBA
2
HBD
79.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Ki 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL6172 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate ass... | 27089209 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 1584.89 | nM | 5.8 | In vitro binding affinity for glycine site on the NMDA receptor. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00492-1 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 27089209 | 10.1016/j.ejmech.2016.04.017 | D-amino-acid oxidase | 1 |
Data from ChEMBL 36 via Core Engine