Compound Detail
CHEMBL107193
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Basic Information
| ChEMBL ID | CHEMBL107193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQMIMXPYDFCWMV-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
2.57
ALogP
4
HBA
1
HBD
36.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.58
IC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2A CHEMBL310 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2B CHEMBL311 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 26.0 | nM | 7.58 | Binding affinity for N-methyl-D-aspartate glutamate receptor was measured throug... | 12951084 |
| Glutamate receptor ionotropic, NMDA 2A | IC50 | = | 210.0 | nM | 6.68 | Inhibitory activity against N-methyl-D-aspartate glutamate receptor 2A in rat | 12951084 |
| Adrenergic receptor alpha-1 | Ki | = | 5500.0 | nM | 5.26 | Binding affinity towards Alpha-1 adrenergic receptor was measured through displa... | 12951084 |
| Glutamate receptor ionotropic, NMDA 2B | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory activity against N-methyl-D-aspartate glutamate receptor 2B in rat | 12951084 |
| Adrenergic receptor alpha-2 | Ki | = | 30000.0 | nM | 4.52 | Binding affinity towards Alpha-2 adrenergic receptor was measured through displa... | 12951084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951084 | 10.1016/s0960-894x(03)00713-3 | Glutamate NMDA receptor | 1 |
| 12951084 | 10.1016/s0960-894x(03)00713-3 | No relevant target | 1 |
| 12951084 | 10.1016/s0960-894x(03)00713-3 | Adrenergic receptor alpha-1 | 1 |
| 12951084 | 10.1016/s0960-894x(03)00713-3 | Adrenergic receptor alpha-2 | 1 |
| 12951084 | 10.1016/s0960-894x(03)00713-3 | Glutamate receptor ionotropic, NMDA 2A | 1 |
| 12951084 | 10.1016/s0960-894x(03)00713-3 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 12951084 | 10.1016/s0960-894x(03)00713-3 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine