Compound Detail
CHEMBL304308
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COc1ccc(-c2nc3n(Cc4ccccc4F)c(C)c(-c4ccc5c(c4)OCO5)c(=O)n3c2CN(C)CCc2ccccn2)cc1
Basic Information
| ChEMBL ID | CHEMBL304308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCBBCUZQHWJMSM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
631.7
MW (Da)
6.13
ALogP
9
HBA
0
HBD
83.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 7.96 | 6.44 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 11.0 | nM | 7.96 | Binding evaluated in cloned human Gonadotropin-releasing hormone receptor by dis... | 12127533 |
| Gonadotropin-releasing hormone receptor | Ki | = | 12000.0 | nM | 4.92 | Compound was evaluated in cloned rat Gonadotropin-releasing hormone receptor ass... | 12127533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127533 | 10.1016/s0960-894x(02)00371-2 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine