Compound Detail
CHEMBL300964
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[N-]=[N+]=Nc1ccc(C(=O)NCCCNCCCCCCNCCCCCCCCNCCCCCCNCCCNC(=O)c2ccc(N=[N+]=[N-])cc2O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL300964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUVXQSMBGIYDEY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
779.0
MW (Da)
7.74
ALogP
10
HBA
8
HBD
244.3
PSA (Ų)
0.01
QED
3
Ro5 Violations
35
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1584.89 | nM | 5.8 | 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