Compound Detail
CHEMBL15564
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Basic Information
| ChEMBL ID | CHEMBL15564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMYSNFBROWBKMB-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.76
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.22
Ki 3 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.65 | 7.65 | 22.4 | 1 |
| Oryctolagus cuniculus CHEMBL374 | EC50 | 7.22 | 7.16 | 60.0 | 2 |
| Dopamine receptor CHEMBL2096905 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.33 | 5.33 | 4677.4 | 1 |
| D(1A) dopamine receptor CHEMBL265 | EC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 22.39 | nM | 7.65 | Binding affinity against Dopamine receptor D2 in rat striatal membranes using [3... | - |
| Oryctolagus cuniculus | EC50 | = | 60.0 | nM | 7.22 | Inhibition of the constrictor response to electrical stimulation in rabbit ear a... | 2871192 |
| Dopamine receptor | EC50 | = | 80.0 | nM | 7.1 | Tested in vitro for dopamine agonist activity in rabbit ear artery after at a do... | 6306238 |
| Oryctolagus cuniculus | EC50 | = | 80.0 | nM | 7.1 | Ability to relax the electrically stimulated rabbit ear artery was determined | 2955118 |
| Adrenergic receptor alpha-1 | Ki | = | 1995.26 | nM | 5.7 | Compound was tested for its binding affinity against Alpha-1 adrenergic receptor | - |
| D(1A) dopamine receptor | Ki | = | 4677.35 | nM | 5.33 | Binding affinity against Dopamine receptor D1 in rat striatal membranes using [3... | - |
| D(1A) dopamine receptor | EC50 | = | 12500.0 | nM | 4.9 | Dopamine receptor D1 agonist efficacy was measured with stimulation of dopamine-... | 2955118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 564406 | 10.1021/jm00201a002 | Rattus norvegicus | 50 |
| 564406 | 10.1021/jm00201a002 | Felis catus | 7 |
| 6306238 | 10.1021/jm00361a001 | Canis familiaris | 6 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 564406 | 10.1021/jm00201a002 | Columba livia | 2 |
| - | 10.1016/0960-894X(95)00413-N | Canis familiaris | 2 |
| 2955118 | 10.1021/jm00390a009 | Oryctolagus cuniculus | 1 |
| 564406 | 10.1021/jm00201a002 | Unchecked | 1 |
| 564406 | 10.1021/jm00201a002 | Canis familiaris | 1 |
| - | 10.1016/S0960-894X(96)00589-6 | Tyrosine-protein kinase Fyn | 1 |
| 2955118 | 10.1021/jm00390a009 | D(1A) dopamine receptor | 1 |
| 2871192 | 10.1021/jm00155a024 | Oryctolagus cuniculus | 1 |
| - | 10.1016/0960-894X(95)00413-N | Adenosine receptor A2b | 1 |
| - | 10.1016/0960-894X(95)00413-N | Adrenergic receptor alpha-1 | 1 |
| - | 10.1016/0960-894X(95)00413-N | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(95)00413-N | D(1A) dopamine receptor | 1 |
| 6306238 | 10.1021/jm00361a001 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine