Compound Detail
CHEMBL23797
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Cc1c(-c2ccc3c(c2)OCO3)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F
Basic Information
| ChEMBL ID | CHEMBL23797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSDRULHMRPKHSG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
3.61
ALogP
8
HBA
0
HBD
78.6
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 7.42 | 7.42 | 38.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 38.0 | nM | 7.42 | Binding affinity was determined towards human gonadotropin-releasing hormone rec... | 12747774 |
| Gonadotropin-releasing hormone receptor | Ki | = | 38.0 | nM | 7.42 | Binding affinity evaluated by the ability to inhibit des-Gly10[125I]Tyr5,D-Leu6,... | 14971906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12747774 | 10.1021/jm034041s | Gonadotropin-releasing hormone receptor | 1 |
| 14971906 | 10.1021/jm030472z | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine