Compound Detail
CHEMBL179440
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Basic Information
| ChEMBL ID | CHEMBL179440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSVWKHTVFGTTKJ-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.18
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 6.37 | 6.37 | 430.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 657.0 | nM | Homo sapiens |
| Ke | 196.0 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 430.0 | nM | 6.37 | Binding constant measured against Alpha-1A adrenergic receptor in human prostate... | 15664832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24630561 | 10.1016/j.bmcl.2014.02.066 | 5-hydroxytryptamine receptor 2A | 2 |
| 15664832 | 10.1016/j.bmcl.2004.11.032 | Alpha-1A adrenergic receptor | 1 |
| 24630561 | 10.1016/j.bmcl.2014.02.066 | Alpha-1A adrenergic receptor | 1 |
| 24630561 | 10.1016/j.bmcl.2014.02.066 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine