Compound Detail
CHEMBL45770
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CCCCCNC(=O)CN1CC(=O)N(C)[C@@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL45770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNFLMJPUDFNJDQ-NDEPHWFRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
3.81
ALogP
4
HBA
2
HBD
102.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor CHEMBL2024 | EC50 | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor | EC50 | = | 1.7 | nM | 8.77 | Agonistic activity against human follicle stimulating hormone receptor in CHO-hF... | 15026057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026056 | 10.1016/j.bmcl.2004.01.042 | Follicle-stimulating hormone receptor | 1 |
| 15026057 | 10.1016/j.bmcl.2004.01.043 | Follicle-stimulating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine