Compound Detail
CHEMBL64066
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COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCNCCc3c[nH]cn3)c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL64066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJGDEYFNWTXRGV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
2.88
ALogP
7
HBA
2
HBD
93.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 3800.0 | nM | 5.42 | Binding affinity was determined towards human gonadotropin-releasing hormone rec... | 12747774 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747774 | 10.1021/jm034041s | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine