Compound Detail
CHEMBL335231
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Basic Information
| ChEMBL ID | CHEMBL335231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCKUBNLZMKAEIN-GSVOUGTGSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
116.1
MW (Da)
-1.06
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.9
Ki 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Ki | 5.6 | 5.4 | 2500.0 | 2 |
| Glutamate receptor ionotropic, NMDA 2C CHEMBL401 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Glutamate receptor ionotropic, NMDA 1 CHEMBL330 | IC50 | 4.9 | 4.735 | 12500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Ki | = | 2500.0 | nM | 5.6 | In vitro inhibitory activity of glycine (0.3 uM) responses in isolated cultured ... | - |
| Glutamate receptor ionotropic, NMDA 2C | Ki | = | 2500.0 | nM | 5.6 | Compound was evaluated for in vitro inhibition of cortical neuron at NMDA recept... | 7990104 |
| Rattus norvegicus | Ki | = | 6300.0 | nM | 5.2 | In vitro inhibitory activity of glycine (0.3 uM) responses in isolated cultured ... | - |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of [3H]glycine binding to rat cortical membranes | - |
| Glutamate NMDA receptor | IC50 | = | 12500.0 | nM | 4.9 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate receptor ionotropic, NMDA 1 | IC50 | = | 27200.0 | nM | 4.57 | Inhibition of [3H]glycine binding to rat cortical membranes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990104 | 10.1021/jm00050a001 | Mus musculus | 4 |
| - | 10.1016/S0960-894X(00)80094-3 | Glutamate receptor ionotropic, NMDA 1 | 2 |
| - | 10.1016/S0960-894X(00)80094-3 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80094-3 | No relevant target | 2 |
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 7990104 | 10.1021/jm00050a001 | Glutamate receptor ionotropic, NMDA 2C | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine