Compound Detail
CHEMBL181832
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COc1ccccc1CC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL181832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWWZDRDKNJDHBS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
5.18
ALogP
5
HBA
1
HBD
71.1
PSA (Ų)
0.33
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | EC50 | = | 2.1 | nM | 8.68 | In vitro effective concentration against human growth hormone secretagogues | 15780609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780609 | 10.1016/j.bmcl.2005.02.040 | Growth hormone secretagogue receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine