Compound Detail
CHEMBL5272881
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NC1CCN(c2c(-c3cc(F)cc(F)c3)cnc3ccc(-c4cccc(C(=O)O)c4)cc23)CC1
Basic Information
| ChEMBL ID | CHEMBL5272881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKHPSMJJEJEUCH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
5.47
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | EC50 | 6.4 | 6.4 | 398.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | EC50 | = | 400.0 | nM | 6.4 | Agonist activity at human SST2 receptor expressed in CHO-K1 cells assessed as in... | 36655128 |
| Somatostatin receptor type 2 | EC50 | = | 398.11 | nM | 6.4 | Agonist activity at human SST2 receptor expressed in CHO-K1 cells assessed as in... | 36655128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36655128 | 10.1021/acsmedchemlett.2c00431 | Somatostatin receptor type 2 | 2 |
Data from ChEMBL 36 via Core Engine