Compound Detail
CHEMBL92084
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Basic Information
| ChEMBL ID | CHEMBL92084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSEFKRFEJDNAGA-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
211.6
MW (Da)
1.40
ALogP
5
HBA
2
HBD
79.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.58
Ki 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D-amino-acid oxidase CHEMBL6172 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| D-amino-acid oxidase CHEMBL5485 | IC50 | 5.95 | 5.95 | 1130.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | Ki | 5.54 | 5.54 | 2884.0 | 1 |
| D-amino-acid oxidase CHEMBL5756 | IC50 | 5.38 | 5.38 | 4160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D-amino-acid oxidase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate ass... | 27089209 |
| D-amino-acid oxidase | IC50 | = | 1130.0 | nM | 5.95 | Inhibition of human recombinant DAAO using D-alanine as substrate assessed as py... | 27089209 |
| Glutamate receptor ionotropic, NMDA 1 | Ki | = | 2884.03 | nM | 5.54 | In vitro binding affinity for glycine site on the NMDA receptor. | - |
| D-amino-acid oxidase | IC50 | = | 4160.0 | nM | 5.38 | Inhibition of rat spinal DAAO using D-alanine as substrate assessed as pyruvate ... | 27089209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27089209 | 10.1016/j.ejmech.2016.04.017 | D-amino-acid oxidase | 3 |
| - | 10.1016/S0960-894X(96)00492-1 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| - | 10.1016/S0960-894X(96)00492-1 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine