Compound Detail
CHEMBL1766106
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Cc1cc(C)cc(-c2c(OCCC3CCCCN3)c3cc(-c4ccncn4)c(Cl)cc3[nH]c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL1766106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAWOHPIYLYGVRK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.0
MW (Da)
5.83
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.49
Ki 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 3.2 | nM | 8.49 | Antagonist activity at GnRH receptor by GnRH | 21395312 |
| Somatostatin receptor type 2 | Ki | = | 1400.0 | nM | 5.85 | Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells afte... | 21395312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21395312 | 10.1021/jm101501b | Somatostatin receptor type 2 | 1 |
| 21395312 | 10.1021/jm101501b | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine