Compound Detail
CHEMBL181764
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COC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL181764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMQWTMNVHFNNDE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
4.49
ALogP
7
HBA
1
HBD
97.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 8.82 | 8.82 | 1.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | EC50 | = | 1.5 | nM | 8.82 | In vitro effective concentration against human growth hormone secretagogues | 15780609 |
| Growth hormone secretagogue receptor type 1 | EC50 | = | 1.5 | nM | 8.82 | In vivo 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 | 2 |
| 15780609 | 10.1016/j.bmcl.2005.02.040 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine