Compound Detail
CHEMBL4445772
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O=c1oc2ccccc2cc1-c1nn(-c2ccccc2)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccc(Br)cc1
Basic Information
| ChEMBL ID | CHEMBL4445772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMPTYJVMWCOTPI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
661.6
MW (Da)
9.59
ALogP
6
HBA
0
HBD
65.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of yeast alpha-glucosidase using p-nitrophenyl-alpha-d-glucopyranosid... | 31112894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31112894 | 10.1016/j.ejmech.2019.04.025 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine