Compound Detail
CHEMBL404041
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Basic Information
| ChEMBL ID | CHEMBL404041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UONGQVAFMQJEGK-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
4.96
ALogP
5
HBA
3
HBD
77.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP-binding enzyme family protein CHEMBL3308969 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Yersinia pestis CHEMBL614597 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP-binding enzyme family protein | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl grou... | 18394884 |
| Yersinia pestis | IC50 | = | 1000.0 | nM | 6.0 | Antimicrobial activity against Yersinia pestis KIM6-2082.1+ in presence of iron ... | 18394884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18394884 | 10.1016/j.bmcl.2008.03.025 | Yersinia pestis | 6 |
| 18394884 | 10.1016/j.bmcl.2008.03.025 | Mycobacterium tuberculosis | 4 |
| 18394884 | 10.1016/j.bmcl.2008.03.025 | Unchecked | 2 |
| 18394884 | 10.1016/j.bmcl.2008.03.025 | AMP-binding enzyme family protein | 2 |
| 18394884 | 10.1016/j.bmcl.2008.03.025 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine