Compound Detail
CHEMBL49608
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CCCCCCN1C(=O)[C@H](Cc2ccc(-c3cccc(CN(CCCC)C(=O)NC)c3)cc2)N(C)C(=O)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL49608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTPNZUAMKQUIHB-OUTSHDOLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.8
MW (Da)
5.48
ALogP
3
HBA
1
HBD
73.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor CHEMBL2024 | EC50 | 8.14 | 8.08 | 7.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Follicle-stimulating hormone receptor | EC50 | = | 7.2 | nM | 8.14 | Agonistic activity against human follicle stimulating hormone receptor in CHO-hF... | 15026057 |
| Follicle-stimulating hormone receptor | EC50 | = | 9.5 | nM | 8.02 | Agonistic activity in CHO-hFSHR cell-based cAMP accumulation assay | 15026057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026057 | 10.1016/j.bmcl.2004.01.043 | Follicle-stimulating hormone receptor | 3 |
Data from ChEMBL 36 via Core Engine