Compound Detail
CHEMBL61818
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Basic Information
| ChEMBL ID | CHEMBL61818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZKBBAOFHGSLQZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
4.76
ALogP
5
HBA
0
HBD
28.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| D(2) dopamine receptor CHEMBL3998 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL3446 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 2.0 | nM | 8.7 | Affinity towards 5-hydroxytryptamine 1A receptor in membranes from bovine hippoc... | 9622542 |
| D(2) dopamine receptor | IC50 | = | 50.0 | nM | 7.3 | Affinity towards Dopamine receptor D2 in membranes from bovine striatum using [3... | 9622542 |
| Alpha-1A adrenergic receptor | IC50 | = | 200.0 | nM | 6.7 | Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal c... | 9622542 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 400.0 | nM | 6.4 | Affinity towards 5-hydroxytryptamine 2A receptor in membranes from bovine fronta... | 9622542 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 1000.0 | nM | 6.0 | Affinity towards 5-hydroxytryptamine 1B receptor in membranes from rat frontal c... | 9622542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9622542 | 10.1021/jm970298c | Unchecked | 2 |
| 9622542 | 10.1021/jm970298c | 5-hydroxytryptamine receptor 1A | 1 |
| 9622542 | 10.1021/jm970298c | 5-hydroxytryptamine receptor 1B | 1 |
| 9622542 | 10.1021/jm970298c | 5-hydroxytryptamine receptor 2A | 1 |
| 9622542 | 10.1021/jm970298c | D(2) dopamine receptor | 1 |
| 9622542 | 10.1021/jm970298c | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine