Compound Detail
CHEMBL2114304
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Basic Information
| ChEMBL ID | CHEMBL2114304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDBFLXGTCAVAFD-LHLIQPBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
197.2
MW (Da)
0.74
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 11000.0 | nM | 4.96 | Compound was evaluated for inhibition of [3H]prazosin binding to Alpha-1 adrener... | 7328589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7328589 | 10.1021/jm00142a027 | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine