Compound Detail
CHEMBL5208037
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CS(=O)(=O)c1ccc(Cc2nnc(Cc3c[nH]c4cc(F)ccc34)n2CCCc2c[nH]cn2)cc1
Basic Information
| ChEMBL ID | CHEMBL5208037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INTCSWRJANFZJO-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
3.84
ALogP
6
HBA
2
HBD
109.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.07
Ki 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 7.09 | 7.09 | 80.8 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | EC50 | 6.07 | 6.07 | 846.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 4 | Ki | = | 80.8 | nM | 7.09 | Displacement of [125I]-Tyr-SRIF 14 from human SST4 receptor expressed in membran... | 34458738 |
| Somatostatin receptor type 4 | EC50 | = | 846.9 | nM | 6.07 | Agonist activity at recombinant human SST4 receptor expressed in CHO-K1 cells as... | 34458738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34458738 | 10.1039/D1MD00044F | Somatostatin receptor type 4 | 2 |
| 34458738 | 10.1039/D1MD00044F | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine