Compound Detail
CHEMBL3358413
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(NCc1ncc(Cl)cc1C(F)(F)F)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)C(C1CC1)N2S(=O)(=O)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL3358413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHHOMZJUDICMLT-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
672.1
MW (Da)
5.26
ALogP
6
HBA
1
HBD
113.5
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor CHEMBL1855 | IC50 | 8.48 | 7.235 | 3.3 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gonadotropin-releasing hormone receptor | IC50 | = | 3.3 | nM | 8.48 | Antagonist activity against human GnRH receptor expressed in CHO cells by IP-one... | 25516782 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 16.0 | nM | 7.8 | Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as... | 32960053 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 54.0 | nM | 7.27 | Antagonist activity at human GnRH receptor expressed in CHO-K1 cells assessed as... | 32960053 |
| Gonadotropin-releasing hormone receptor | IC50 | = | 4080.0 | nM | 5.39 | 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 |
| 32960053 | 10.1021/acs.jmedchem.0c01076 | Gonadotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine