Compound Detail
CHEMBL1651827
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CC(=O)N1c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2[C@@](C)(c2ccc(OCc3cn(CCOCCOCCN=[N+]=[N-])nn3)cc2)CC1(C)C
Basic Information
| ChEMBL ID | CHEMBL1651827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPXOWGCLWBBZBP-HUESYALOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
742.9
MW (Da)
7.96
ALogP
9
HBA
1
HBD
156.6
PSA (Ų)
0.05
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor CHEMBL2024 | IC50 | 6.49 | 6.49 | 324.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor | IC50 | = | 324.0 | nM | 6.49 | 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 | Lutropin-choriogonadotropic hormone receptor | 2 |
| 24900256 | 10.1021/ml100229v | Follicle-stimulating hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine