Compound Detail
CHEMBL133163
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Basic Information
| ChEMBL ID | CHEMBL133163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYVODCHKWZOJKH-JKSUJKDBSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
11
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
3.12
ALogP
4
HBA
4
HBD
104.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.72 | 7.62 | 19.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.833 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 19.0 | nM | 7.72 | In vitro inhibition of [3H]glycine at NMDA receptor | 7990104 |
| Glutamate NMDA receptor | IC50 | = | 19.0 | nM | 7.72 | Tested for the binding affinity at glycine recognition site of the NMDA receptor... | - |
| Glutamate NMDA receptor | IC50 | = | 38.5 | nM | 7.42 | Affinity for the glycine binding site on rat N-methyl-D-aspartate glutamate rece... | 9406596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7990104 | 10.1021/jm00050a001 | Glutamate NMDA receptor | 2 |
| 7990104 | 10.1021/jm00050a001 | Mus musculus | 2 |
| 9406596 | 10.1021/jm970417o | Glutamate NMDA receptor | 2 |
| - | 10.1016/S0960-894X(00)80093-1 | Mus musculus | 2 |
| 9406596 | 10.1021/jm970417o | Albumin | 1 |
| 9406596 | 10.1021/jm970417o | Mus musculus | 1 |
| 9406596 | 10.1021/jm970417o | No relevant target | 1 |
| - | 10.1016/S0960-894X(00)80093-1 | Glutamate NMDA receptor | 1 |
| - | 10.1016/S0960-894X(00)80093-1 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80093-1 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80093-1 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine