Compound Detail
CHEMBL3323087
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Cn1cc([C@]2(c3ccc(C(=O)O)cn3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
Basic Information
| ChEMBL ID | CHEMBL3323087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USKMQJPSLXOQLF-AYWVHJORSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
4.70
ALogP
6
HBA
4
HBD
124.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 6.39 | 6.39 | 409.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2238 | IC50 | 5.73 | 5.73 | 1863.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | IC50 | = | 409.0 | nM | 6.39 | Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells by TopCount ... | 25050159 |
| Somatostatin receptor type 3 | IC50 | = | 1863.0 | nM | 5.73 | Antagonist activity at mouse SSTR3 expressed in CHO cells assessed as cAMP level... | 25050159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25050159 | 10.1021/ml500028c | Somatostatin receptor type 3 | 6 |
Data from ChEMBL 36 via Core Engine