Compound Detail
CHEMBL410680
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NC(CC1CCCCC1)Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2
Basic Information
| ChEMBL ID | CHEMBL410680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEGWOZCGMVPOEG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.1
MW (Da)
4.85
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 3200.0 | nM | 5.5 | 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