Compound Detail
CHEMBL414394
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Cc1noc(C)c1-c1ccccc1COC[C@@H](NC(=O)C(C)(C)N)c1nnnn1CCOC(=O)NCCCCO
Basic Information
| ChEMBL ID | CHEMBL414394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUAOIHUYEOGKQH-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
558.6
MW (Da)
1.56
ALogP
12
HBA
4
HBD
192.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 CHEMBL4616 | EC50 | 8.98 | 8.98 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Growth hormone secretagogue receptor type 1 | EC50 | = | 1.04 | nM | 8.98 | Inhibition of human growth hormone secretagogue receptor assessed as measuring i... | 18295486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18295486 | 10.1016/j.bmcl.2008.02.021 | Growth hormone secretagogue receptor type 1 | 1 |
| 18295486 | 10.1016/j.bmcl.2008.02.021 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine