Compound Detail
CHEMBL4798298
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Basic Information
| ChEMBL ID | CHEMBL4798298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGNMJPRQSRKZJG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.0
MW (Da)
4.42
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL3066 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 6.81 | 6.66 | 154.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 72.0 | nM | 7.14 | Antagonist activity at rat GnRH receptor expressed in CHO-K1 cells assessed as i... | 32960053 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 154.0 | nM | 6.81 | Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as... | 32960053 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 306.0 | nM | 6.51 | Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as... | 32960053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32960053 | 10.1021/acs.jmedchem.0c01076 | Gonadotropin-releasing hormone receptor | 4 |
| 32960053 | 10.1021/acs.jmedchem.0c01076 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine