Compound Detail
CHEMBL61045
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Basic Information
| ChEMBL ID | CHEMBL61045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIJDACMRFIMBET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
1.84
ALogP
7
HBA
4
HBD
124.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.7 | 199.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 199.0 | nM | 6.7 | Inhibition of Saccharomyces cerevisiae alpha-Glucosidase using p-nitrophenyl-alp... | 26706176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31466836 | 10.1016/j.bmc.2019.07.021 | A2780S | 3 |
| 31466836 | 10.1016/j.bmc.2019.07.021 | L5178Y | 3 |
| 10450959 | 10.1016/s0960-894x(99)00305-4 | Unchecked | 1 |
| 26706176 | 10.1016/j.bmcl.2015.12.009 | Unchecked | 1 |
| 31466836 | 10.1016/j.bmc.2019.07.021 | Mycobacterium tuberculosis | 1 |
| 31466836 | 10.1016/j.bmc.2019.07.021 | Staphylococcus aureus | 1 |
| 31466836 | 10.1016/j.bmc.2019.07.021 | Escherichia coli | 1 |
| 31466836 | 10.1016/j.bmc.2019.07.021 | Pseudomonas aeruginosa | 1 |
| 31466836 | 10.1016/j.bmc.2019.07.021 | Enterococcus faecium | 1 |
| 31466836 | 10.1016/j.bmc.2019.07.021 | Klebsiella pneumoniae | 1 |
| 31466836 | 10.1016/j.bmc.2019.07.021 | Klebsiella aerogenes | 1 |
| 31466836 | 10.1016/j.bmc.2019.07.021 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine