Compound Detail
CHEMBL235269
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CSc1ccc(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3F)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL235269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMTGTUPQRGVTHE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
4.19
ALogP
8
HBA
0
HBD
63.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 8.0 | 7.91 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [125I]His5,D-Tyr6]GnRH from human cloned GnRH receptor transfect... | 17561404 |
| Gonadotropin-releasing hormone receptor | Ki | = | 15.0 | nM | 7.82 | Binding affinity at human GnRH receptor | 18419112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17561404 | 10.1016/j.bmc.2007.05.029 | Gonadotropin-releasing hormone receptor | 1 |
| 18419112 | 10.1021/jm701249f | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine