Compound Detail
CHEMBL516602
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Cc1ccc(-c2ccc(S(=O)(=O)N3CCNC[C@H]3C(=O)N3CC[C@@H](N)C3)cc2)o1
Basic Information
| ChEMBL ID | CHEMBL516602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIBLOBHZCVMMJE-AEFFLSMTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
0.78
ALogP
6
HBA
2
HBD
108.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 8.9 | 8.9 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | EC50 | = | 1.259 | nM | 8.9 | Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay | 19128969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19128969 | 10.1016/j.bmcl.2008.12.042 | Growth hormone secretagogue receptor type 1 | 2 |
Data from ChEMBL 36 via Core Engine