Compound Detail
CHEMBL3358414
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N#Cc1cccc(S(=O)(=O)N2c3ccc(C(=O)NCc4ncc(C(F)(F)F)cc4F)cc3C3(CCS(=O)(=O)CC3)C2C2CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3358414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVNOMGQUPJFQLS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
662.7
MW (Da)
4.48
ALogP
7
HBA
1
HBD
137.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 6.97 | 6.305 | 107.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 107.0 | nM | 6.97 | Antagonist activity against human GnRH receptor expressed in CHO cells by IP-one... | 25516782 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 2310.0 | nM | 5.64 | Antagonist activity against human GnRH receptor expressed in CHO cells by IP-one... | 25516782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25516782 | 10.1021/ml5004469 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine