Compound Detail
CHEMBL92379
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NC(=O)CN(C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL92379 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CTZPHFPVMZJNIP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
612.7
MW (Da)
5.41
ALogP
5
HBA
3
HBD
116.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.51 | 6.51 | 310.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 310.0 | nM | 6.51 | Evaluated for binding affinity against alpha-1 adrenergic receptor | 10893315 |
| Adrenergic receptor alpha-1 | Ki | = | 310.0 | nM | 6.51 | Compound was evaluated for its binding affinity against alpha-1 adrenergic recep... | 8064796 |
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 |
Data from ChEMBL 36 via Core Engine