Compound Detail
CHEMBL4162543
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COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(N)c3ccc(SC)cc3)c2=O)c1F
Basic Information
| ChEMBL ID | CHEMBL4162543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMDSDWCKKQYFLG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
4.88
ALogP
7
HBA
1
HBD
79.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.69 | 7.69 | 20.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 20.4 | nM | 7.69 | Displacement of [125I]D-Trp6-LHRH from human GnRH receptor expressed in CHO-K1 c... | 29335207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29335207 | 10.1016/j.ejmech.2017.12.095 | Gonadotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine