Compound Detail
CHEMBL29752
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OCCCCCCNC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)C[C@@H]1OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL29752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYYITBUAYQTKNQ-NJMTUYGZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
586.8
MW (Da)
6.16
ALogP
6
HBA
3
HBD
85.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor CHEMBL2111427 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor | IC50 | = | 5100.0 | nM | 5.29 | Binding affinity was measured for SRIF receptor on AtT-20 mouse pituitary cells | 9554871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554871 | 10.1021/jm9800346 | Somatostatin receptor | 1 |
Data from ChEMBL 36 via Core Engine