Compound Detail
CHEMBL180337
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CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OCc1ccccc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL180337 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIRPXDXDTLSTJD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
543.7
MW (Da)
5.74
ALogP
5
HBA
1
HBD
71.1
PSA (Ų)
0.33
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | EC50 | = | 27.0 | nM | 7.57 | 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