Compound Detail
CHEMBL368176
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O=C(Nc1ccc(F)cc1F)N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccccc2)c[nH]1
Basic Information
| ChEMBL ID | CHEMBL368176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZBDUKNRWKGIPH-HSZRJFAPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
5.94
ALogP
2
HBA
4
HBD
85.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 5.44 | 5.44 | 3650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Ki | = | 170.0 | nM | 6.77 | Inhibition of human sst3 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 1 | Ki | = | 2600.0 | nM | 5.58 | Inhibition of human sst1 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 5 | Ki | = | 3650.0 | nM | 5.44 | Inhibition of human sst5 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