Compound Detail
CHEMBL5272008
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O=C(C1=C(c2ccccc2O)Oc2[nH]c(=S)[nH]c(=O)c2C1c1ccccc1O)N1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL5272008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDXCNPBFKGLZTA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
3.79
ALogP
6
HBA
4
HBD
118.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20131.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20131.0 | nM | 4.7 | Inhibition of porcine pancreatic alpha-amylase preincubated for 10 mins followed... | 35694689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35694689 | 10.1039/d2md00076h | Escherichia coli | 1 |
| 35694689 | 10.1039/d2md00076h | Pseudomonas aeruginosa | 1 |
| 35694689 | 10.1039/d2md00076h | Klebsiella pneumoniae | 1 |
| 35694689 | 10.1039/d2md00076h | Alpha-glucosidase | 1 |
| 35694689 | 10.1039/d2md00076h | Albumin | 1 |
| 35694689 | 10.1039/d2md00076h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine