Compound Detail
CHEMBL1259187
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Basic Information
| ChEMBL ID | CHEMBL1259187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEEXCUUQRQNRNF-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
3.61
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 9.17 | 9.17 | 0.7 | 1 |
| Alpha-1B adrenergic receptor CHEMBL3122 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 7.19 | 7.19 | 64.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 0.68 | nM | 9.17 | Displacement of [3H]prozosin from bovine cloned Alpha-1A receptor expressed in B... | 20857909 |
| Alpha-1B adrenergic receptor | Ki | = | 2.0 | nM | 8.7 | Displacement of [3H]prozosin from hamster cloned alpha-1b receptor | 20857909 |
| Alpha-1D adrenergic receptor | Ki | = | 2.9 | nM | 8.54 | Displacement of [3H]prozosin from rat cloned alpha1d receptor | 20857909 |
| D(2) dopamine receptor | Ki | = | 3.1 | nM | 8.51 | Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in... | 20857909 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 11.0 | nM | 7.96 | Displacement of [3H]prozosin from human cloned 5HT2C receptor expressed in CHO c... | 20857909 |
| Histamine H1 receptor | Ki | = | 64.0 | nM | 7.19 | Displacement of [3H]prozosin from human cloned histamine H1 receptor expressed i... | 20857909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20857909 | 10.1021/jm100652h | Alpha-1A adrenergic receptor | 1 |
| 20857909 | 10.1021/jm100652h | Alpha-1B adrenergic receptor | 1 |
| 20857909 | 10.1021/jm100652h | Alpha-1D adrenergic receptor | 1 |
| 20857909 | 10.1021/jm100652h | D(2) dopamine receptor | 1 |
| 20857909 | 10.1021/jm100652h | 5-hydroxytryptamine receptor 2C | 1 |
| 20857909 | 10.1021/jm100652h | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine