Compound Detail
CHEMBL454149
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NC(=O)CN(CCc1ccc(-c2ccccc2)cc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL454149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYDOOTJBEFYAOE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
640.8
MW (Da)
5.45
ALogP
5
HBA
3
HBD
116.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 310.0 | nM | 6.51 | Binding affinity to adrenergic alpha1 receptor | 18378462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18378462 | 10.1016/j.bmc.2008.02.091 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine