Compound Detail
CHEMBL4787218
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Basic Information
| ChEMBL ID | CHEMBL4787218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFTWTAHUDUFFGU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.0
MW (Da)
5.15
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 5.85 | 5.68 | 1413.0 | 2 |
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 5.32 | 5.32 | 4843.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 1413.0 | nM | 5.85 | Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as... | 32960053 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 3059.0 | nM | 5.51 | Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as... | 32960053 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 4843.0 | nM | 5.32 | Antagonist activity at rat GnRH receptor expressed in CHO-K1 cells assessed as i... | 32960053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32960053 | 10.1021/acs.jmedchem.0c01076 | Gonadotropin-releasing hormone receptor | 4 |
Data from ChEMBL 36 via Core Engine