Compound Detail
CHEMBL491794
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Basic Information
| ChEMBL ID | CHEMBL491794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKIYLOACOOWBCU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
3.06
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ileum CHEMBL613680 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ileum | IC50 | = | 1490.0 | nM | 5.83 | Inhibition of spontaneous contraction in guinea pig ileum | 16933870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12193012 | 10.1021/np0201523 | Staphylococcus aureus | 2 |
| 12193012 | 10.1021/np0201523 | Escherichia coli | 2 |
| 12193012 | 10.1021/np0201523 | Pseudomonas aeruginosa | 2 |
| 12193012 | 10.1021/np0201523 | Bacillus subtilis | 2 |
| 12193012 | 10.1021/np0201523 | Candida albicans | 2 |
| 12193012 | 10.1021/np0201523 | Trichophyton mentagrophytes | 2 |
| 12193012 | 10.1021/np0201523 | Aspergillus niger | 1 |
| 16933870 | 10.1021/np060180b | Ileum | 1 |
Data from ChEMBL 36 via Core Engine