Compound Detail
CHEMBL4757424
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O=C(Nc1ccc2c(c1)C1(CCC(O)(C(F)(F)F)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1)c1cccnc1
Basic Information
| ChEMBL ID | CHEMBL4757424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBTKUCKWUZDEHZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
589.6
MW (Da)
5.57
ALogP
5
HBA
2
HBD
99.6
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.11 | 6.875 | 78.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 78.0 | nM | 7.11 | Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as... | 32960053 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 228.0 | nM | 6.64 | 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 | 2 |
Data from ChEMBL 36 via Core Engine