Compound Detail
CHEMBL284012
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Basic Information
| ChEMBL ID | CHEMBL284012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAIQOZCTXWTJMQ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.1
MW (Da)
0.97
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.46
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Ki | 5.46 | 5.2333 | 3500.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Ki | = | 3500.0 | nM | 5.46 | Compound was tested for its ability to inhibit kainic acid (KA)-induced inward c... | - |
| Rattus norvegicus | Ki | = | 3600.0 | nM | 5.44 | Inhibition of kainic acid (KA)-induced currents in rat brain mRNA-injected xenop... | - |
| Unchecked | IC50 | = | 7300.0 | nM | 5.14 | Displacement of [3H]CNQX from Ionotropic glutamate receptor kainate/Ionotropic g... | - |
| Rattus norvegicus | Ki | = | 16000.0 | nM | 4.8 | The compound was tested for its ability to inhibit AMPA-induced currents in rat ... | - |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 81000.0 | nM | 4.09 | Binding affinity at glycine co-agonist site of rat NMDA receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80558-8 | Unchecked | 2 |
| - | 10.1016/S0960-894X(00)80228-0 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)80558-8 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)80558-8 | Glutamate receptor ionotropic, NMDA 1 | 1 |
Data from ChEMBL 36 via Core Engine