Compound Detail
CHEMBL259907
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COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1
Basic Information
| ChEMBL ID | CHEMBL259907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTSAUOAPZYLYFR-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
5.12
ALogP
6
HBA
1
HBD
65.3
PSA (Ų)
0.41
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 4.5 | nM | 8.35 | Binding affinity to human GnRHR | 18442905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18442905 | 10.1016/j.bmcl.2008.04.029 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine