Compound Detail
CHEMBL69967
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Basic Information
| ChEMBL ID | CHEMBL69967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAQRRFANFOCRSD-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
2.67
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.14 | 5.14 | 7300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | Ki | = | 7.5 | nM | 8.12 | Displacement of [3H]25-6981 from N-methyl-D-aspartate glutamate receptor | 11514163 |
| Alpha-1A adrenergic receptor | Ki | = | 7300.0 | nM | 5.14 | In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]... | 11514163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11514163 | 10.1016/s0960-894x(01)00392-4 | Alpha-1A adrenergic receptor | 2 |
| 11514163 | 10.1016/s0960-894x(01)00392-4 | Glutamate [NMDA] receptor | 1 |
| 11514163 | 10.1016/s0960-894x(01)00392-4 | Glutamate receptor ionotropic, NMDA 2A | 1 |
| 11514163 | 10.1016/s0960-894x(01)00392-4 | Glutamate receptor ionotropic, NMDA 2B | 1 |
| 11514163 | 10.1016/s0960-894x(01)00392-4 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine