Compound Detail
CHEMBL2326175
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Basic Information
| ChEMBL ID | CHEMBL2326175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHNXJRSEHMJHRM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
5
PK Parameters
10
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
4.37
ALogP
5
HBA
0
HBD
38.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL4892 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Alpha-1B adrenergic receptor CHEMBL3122 | Ki | 8.19 | 8.19 | 6.4 | 1 |
| Alpha-1D adrenergic receptor CHEMBL326 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.05 | 7.05 | 89.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.002 | - | Rattus norvegicus |
| Fu | 0.17 | - | Homo sapiens |
| Fu | 0.16 | - | Macaca fascicularis |
| Fu | 0.18 | - | Macaca mulatta |
| Fu | 0.074 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 0.16 | nM | 9.8 | Displacement of [3H]prazosine from bovine alpha1A adrenoceptor expressed in BHK ... | 23218776 |
| Alpha-1B adrenergic receptor | Ki | = | 6.4 | nM | 8.19 | Displacement of [3H]prazosine from hamster alpha1B adrenoceptor expressed in Rat... | 23218776 |
| Alpha-1D adrenergic receptor | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]prazosine from rat alpha1D adrenoceptor expressed in CHO cel... | 23218776 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 89.0 | nM | 7.05 | Binding affinity to 5-HT2A receptor (unknown origin) by radioligand displacement... | 23218776 |
| D(2) dopamine receptor | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO c... | 23218776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23218776 | 10.1016/j.bmc.2012.10.049 | Plasma | 4 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Unchecked | 3 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | D(2) dopamine receptor | 2 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Nucleic Acid | 2 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Caco-2 | 2 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Brain | 1 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | 5-hydroxytryptamine receptor 2A | 1 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Alpha-1D adrenergic receptor | 1 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Alpha-1B adrenergic receptor | 1 |
| 23218776 | 10.1016/j.bmc.2012.10.049 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine