Compound Detail
CHEMBL1651825
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CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCOCCn4cc(COc5ccc([C@@]6(C)CC(C)(C)N(C(C)=O)c7ccc(NC(=O)c8ccc(-c9ccccc9)cc8)cc76)cc5)nn4)nn3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1
Basic Information
| ChEMBL ID | CHEMBL1651825 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRBBGJYRISMCKP-XQIOEBDSSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1269.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.21
IC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lutropin-choriogonadotropic hormone receptor CHEMBL1854 | EC50 | 7.21 | 7.21 | 61.0 | 1 |
| Follicle-stimulating hormone receptor CHEMBL2024 | IC50 | 5.78 | 5.78 | 1662.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lutropin-choriogonadotropic hormone receptor | EC50 | = | 61.0 | nM | 7.21 | Agonist activity at human LH receptor expressed in CHO-K1 cells assessed as stim... | 24900256 |
| Follicle-stimulating hormone receptor | IC50 | = | 1662.0 | nM | 5.78 | Agonist activity at human FSHR receptor expressed in CHO-K1 cells assessed as in... | 24900256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900256 | 10.1021/ml100229v | Follicle-stimulating hormone receptor | 3 |
| 24900256 | 10.1021/ml100229v | Lutropin-choriogonadotropic hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine