Compound Detail
CHEMBL122064
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CN(C)Cc1c(-c2ccc([N+](=O)[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F
Basic Information
| ChEMBL ID | CHEMBL122064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKWDIDHJGAGPJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
5.18
ALogP
8
HBA
0
HBD
90.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | Ki | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | Ki | = | 640.0 | nM | 6.19 | Binding affinity towards human gonadotropin-releasing hormone receptor | 14505682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505682 | 10.1016/s0960-894x(03)00746-7 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine