Compound Detail
CHEMBL1766108
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Cc1cc(C)cc(-c2cnc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@H]2CCCCN2)c1
Basic Information
| ChEMBL ID | CHEMBL1766108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMJFEESLJOXGMQ-OAQYLSRUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
516.0
MW (Da)
6.13
ALogP
6
HBA
2
HBD
89.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.61
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 5.61 | 5.61 | 2440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | Ki | = | 20.0 | nM | 7.7 | Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells afte... | 21395312 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 2440.0 | nM | 5.61 | Antagonist activity at GnRH receptor by GnRH | 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