Compound Detail
CHEMBL1259188
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Cn1nnc(Cc2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL1259188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGHKCRNDQSRICR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
3.09
ALogP
7
HBA
1
HBD
84.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL3122 | Ki | 9.25 | 9.25 | 0.6 | 1 |
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 9.18 | 9.18 | 0.7 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 0.56 | nM | 9.25 | Displacement of [3H]prozosin from hamster cloned alpha-1b receptor | 20857909 |
| Alpha-1A adrenergic receptor | Ki | = | 0.66 | nM | 9.18 | Displacement of [3H]prozosin from bovine cloned Alpha-1A receptor expressed in B... | 20857909 |
| Alpha-1D adrenergic receptor | Ki | = | 0.77 | nM | 9.11 | Displacement of [3H]prozosin from rat cloned alpha1d receptor | 20857909 |
| D(2) dopamine receptor | Ki | = | 2.7 | nM | 8.57 | Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in... | 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