Compound Detail
CHEMBL523814
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Basic Information
| ChEMBL ID | CHEMBL523814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDWLCVMFPBEXMW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1187847 |
| Active Moiety | CHEMBL1187847 |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.40
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 6 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL4652 | Kd | 9.13 | 9.13 | 0.7 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Kd | 8.58 | 8.58 | 2.6 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Kd | 5.94 | 5.94 | 1148.2 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Kd | 5.92 | 5.92 | 1202.3 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Kd | 5.38 | 5.38 | 4168.7 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 5.38 | 5.38 | 4168.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 0.7413 | nM | 9.13 | Binding affinity to rat sst1 receptor | 19208473 |
| Somatostatin receptor type 1 | Kd | = | 2.63 | nM | 8.58 | Binding affinity to human sst1 receptor | 19208473 |
| Somatostatin receptor type 4 | Kd | = | 1148.15 | nM | 5.94 | Binding affinity to human sst4 receptor | 19208473 |
| Somatostatin receptor type 3 | Kd | = | 1202.26 | nM | 5.92 | Binding affinity to human sst3 receptor | 19208473 |
| Somatostatin receptor type 2 | Kd | = | 4168.69 | nM | 5.38 | Binding affinity to rat sst2 receptor | 19208473 |
| Somatostatin receptor type 2 | Kd | = | 4168.69 | nM | 5.38 | Binding affinity to human sst2 receptor | 19208473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19208473 | 10.1016/j.bmcl.2009.01.072 | Somatostatin receptor type 1 | 2 |
| 19208473 | 10.1016/j.bmcl.2009.01.072 | Somatostatin receptor type 2 | 2 |
| 19208473 | 10.1016/j.bmcl.2009.01.072 | Unchecked | 1 |
| 19208473 | 10.1016/j.bmcl.2009.01.072 | Somatostatin receptor type 3 | 1 |
| 19208473 | 10.1016/j.bmcl.2009.01.072 | Somatostatin receptor type 4 | 1 |
| 19208473 | 10.1016/j.bmcl.2009.01.072 | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine