Compound Detail
CHEMBL92380
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NC(=O)CN(CCc1ccccc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL92380 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RTHUGEODSXOLOK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
580.7
MW (Da)
3.91
ALogP
6
HBA
3
HBD
125.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.85 | 6.85 | 140.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 140.0 | nM | 6.85 | Evaluated for binding affinity against alpha-1 adrenergic receptor | 10893315 |
| Adrenergic receptor alpha-1 | Ki | = | 140.0 | nM | 6.85 | Compound was evaluated for its binding affinity against alpha-1 adrenergic recep... | 8064796 |
| Unchecked | Ki | = | 140.0 | nM | 6.85 | Binding affinity to adrenergic alpha1 receptor | 18378462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893315 | 10.1021/jm990578n | Adrenergic receptor alpha-1 | 1 |
| 8064796 | 10.1021/jm00043a007 | Adrenergic receptor alpha-1 | 1 |
| 18378462 | 10.1016/j.bmc.2008.02.091 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine