Compound Detail
CHEMBL52278
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Cc1cc(C)cc(-c2c(O)nc3cc(Cl)c(C(=O)Nc4ccncn4)cc3c2OCC[C@@H]2CCCCN2)c1
Basic Information
| ChEMBL ID | CHEMBL52278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBZUGIXUZZZNKG-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.0
MW (Da)
5.83
ALogP
7
HBA
3
HBD
109.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| CHO CHEMBL613853 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 0.9 | nM | 9.05 | Inhibitory concentration against binding of [125I]buserelin to human Gonadotropi... | 15026074 |
| CHO | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibitory concentration against GnRH-stimulated phosphatidyl inositol ... | 15026074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026074 | 10.1016/j.bmcl.2003.12.101 | Gonadotropin-releasing hormone receptor | 1 |
| 15026074 | 10.1016/j.bmcl.2003.12.101 | CHO | 1 |
Data from ChEMBL 36 via Core Engine