Compound Detail
CHEMBL1076625
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1.O=C(O)/C=C/C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1076625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCJCAKLZCWCCCO-RQBPHLKLSA-N |
| Parent Compound | CHEMBL1198974 |
| Active Moiety | CHEMBL1198974 |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
4.63
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 7 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL1917 | Kd | 6.14 | 6.14 | 724.4 | 1 |
| Somatostatin receptor type 1 CHEMBL4652 | Kd | 6.09 | 6.09 | 812.8 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 5.44 | 5.44 | 3630.8 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Kd | 5.21 | 5.21 | 6165.9 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 4.68 | 4.68 | 20893.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Kd | 4.42 | 4.42 | 38018.9 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Kd | 4.04 | 4.04 | 91201.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 724.44 | nM | 6.14 | Binding affinity to human SST1 receptor | 20137944 |
| Somatostatin receptor type 1 | Kd | = | 812.83 | nM | 6.09 | Displacement of [125I]SRIF-14 from rat cortex membrane SST1 receptor | 20137944 |
| Somatostatin receptor type 3 | Kd | = | 3630.78 | nM | 5.44 | Binding affinity to human SST3 receptor | 20137944 |
| Somatostatin receptor type 4 | Kd | = | 6165.95 | nM | 5.21 | Binding affinity to human SST4 receptor | 20137944 |
| Somatostatin receptor type 2 | Kd | = | 20892.96 | nM | 4.68 | Displacement of [125I]SRIF-14 from rat cortex membrane SST2 receptor | 20137944 |
| Somatostatin receptor type 2 | Kd | = | 38018.94 | nM | 4.42 | Binding affinity to human SST2 receptor | 20137944 |
| Somatostatin receptor type 5 | Kd | = | 91201.08 | nM | 4.04 | Binding affinity to human SST5 receptor | 20137944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 2 | 2 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 1 | 2 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 3 | 2 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 5 | 1 |
| 20137944 | 10.1016/j.bmcl.2010.01.063 | Somatostatin receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine