Compound Detail
CHEMBL263118
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CC(CCN1CCc2c(c(=O)n(CCN3CCCCC3)c(=O)n2Cc2c(F)cccc2F)C1)CC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL263118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLHODBGBXCELJA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.7
MW (Da)
4.64
ALogP
6
HBA
0
HBD
50.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 4400.0 | nM | 5.36 | Inhibition of GnRH receptor | 17920281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17920281 | 10.1016/j.bmc.2007.09.026 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine