Compound Detail
CHEMBL293128
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CCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCCCNCCCCCCCCCCCCNCCCCCCNCc1ccccc1OC
Basic Information
| ChEMBL ID | CHEMBL293128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAIPDERXKMZREY-WBVITSLISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
809.2
MW (Da)
8.31
ALogP
8
HBA
7
HBD
135.8
PSA (Ų)
0.03
QED
3
Ro5 Violations
40
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.27 | 6.27 | 537.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 537.03 | nM | 6.27 | Antagonism of carbachol action on nAChR of isolated frog rectus abdominus. | 11960498 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960498 | 10.1021/jm011067f | Unchecked | 1 |
| 11960498 | 10.1021/jm011067f | Acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine