Compound Detail
CHEMBL4780737
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CC(=O)N1CCC2(CC1)c1cc(C(=O)NCc3ccccc3Cl)ccc1N(S(=O)(=O)c1ccc(F)cc1)C2C
Basic Information
| ChEMBL ID | CHEMBL4780737 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOEVGYNBSQJEFD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
570.1
MW (Da)
4.89
ALogP
4
HBA
1
HBD
86.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 7.68 | 7.2633 | 21.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 21.0 | nM | 7.68 | Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as... | 32960053 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 87.0 | nM | 7.06 | Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as... | 32960053 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 90.0 | nM | 7.05 | 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 | 6 |
| 32960053 | 10.1021/acs.jmedchem.0c01076 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine