Compound Detail
CHEMBL174872
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Basic Information
| ChEMBL ID | CHEMBL174872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKJHQNPSJUWWHN-HSZRJFAPSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
5.46
ALogP
2
HBA
4
HBD
80.3
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 5.82 | 5.82 | 1520.0 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 5.63 | 5.63 | 2360.0 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 5.15 | 5.15 | 7090.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 5.06 | 5.06 | 8680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Ki | = | 250.0 | nM | 6.6 | Inhibition of human sst3 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 1 | Ki | = | 1520.0 | nM | 5.82 | Inhibition of human sst1 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 5 | Ki | = | 2360.0 | nM | 5.63 | Inhibition of human sst5 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 4 | Ki | = | 7090.0 | nM | 5.15 | Inhibition of human sst4 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 2 | Ki | = | 8680.0 | nM | 5.06 | Inhibition of human sst2 receptor expressed in CHO cells | 11327607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 1 | 1 |
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 2 | 1 |
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 3 | 1 |
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 4 | 1 |
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine