Compound Detail
CHEMBL1079798
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CC(Cc1ccc2c(c1)OCO2)CN1CC2CCCCC2C(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL1079798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIRXCLYWWFWKSY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
3.95
ALogP
7
HBA
0
HBD
81.9
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Kd | = | 79.43 | nM | 7.1 | Binding affinity to human SST3 receptor | 20137944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine