Compound Detail
CHEMBL2216803
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COc1ccc(CCNC(=O)C[C@H]2S[C@@H](c3ccc(C#Cc4ccccc4)cc3)N(c3ccc(C(N)=O)c(Cl)c3)C2=O)cc1OC
Basic Information
| ChEMBL ID | CHEMBL2216803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTUCWLBLHUGIFP-KUFVUHJUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
654.2
MW (Da)
5.75
ALogP
6
HBA
2
HBD
111.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor CHEMBL2024 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor | EC50 | = | 1.0 | nM | 9.0 | Allosteric activation of human FSH receptor | 22546204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22546204 | 10.1016/j.bmc.2012.03.069 | Follicle-stimulating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine