Compound Detail
CHEMBL1089732
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Basic Information
| ChEMBL ID | CHEMBL1089732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGHTWRZCNLXYPF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.7
MW (Da)
1.93
ALogP
6
HBA
4
HBD
132.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.24
Ki 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.05 | 6.05 | 890.0 | 1 |
| Accessory gene regulator protein A CHEMBL1681616 | IC50 | 4.42 | 4.42 | 37800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 580.0 | nM | 6.24 | Inhibition of Trypanosoma cruzi trans-sialidase containing catalytic domain (N58... | 20097567 |
| Unchecked | Ki | = | 890.0 | nM | 6.05 | Noncompetitive inhibition of Trypanosoma cruzi trans-sialidase containing cataly... | 20097567 |
| Accessory gene regulator protein A | IC50 | = | 37800.0 | nM | 4.42 | Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus ... | 24911880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20097567 | 10.1016/j.bmc.2009.12.062 | Unchecked | 3 |
| 20097567 | 10.1016/j.bmc.2009.12.062 | Sialidase-2 | 1 |
| 24911880 | 10.1021/np5000704 | Accessory gene regulator protein A | 1 |
Data from ChEMBL 36 via Core Engine