Compound Detail
CHEMBL256351
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Basic Information
| ChEMBL ID | CHEMBL256351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEORMINJHZISKH-IBGZPJMESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
4.65
ALogP
4
HBA
3
HBD
68.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP-binding enzyme family protein CHEMBL3308969 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Yersinia pestis CHEMBL614597 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.54 | 4.365 | 29000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP-binding enzyme family protein | IC50 | = | 600.0 | nM | 6.22 | Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl grou... | 18394884 |
| Yersinia pestis | IC50 | = | 700.0 | nM | 6.16 | Antimicrobial activity against Yersinia pestis KIM6-2082.1+ in presence of iron ... | 18394884 |
| Mycobacterium tuberculosis | IC50 | = | 29000.0 | nM | 4.54 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv in presence ... | 18394884 |
| Mycobacterium tuberculosis | IC50 | = | 65000.0 | nM | 4.19 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv in presence ... | 18394884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18394884 | 10.1016/j.bmcl.2008.03.025 | Mycobacterium tuberculosis | 6 |
| 18394884 | 10.1016/j.bmcl.2008.03.025 | Yersinia pestis | 6 |
| 18394884 | 10.1016/j.bmcl.2008.03.025 | AMP-binding enzyme family protein | 2 |
| 18394884 | 10.1016/j.bmcl.2008.03.025 | Unchecked | 2 |
| 18394884 | 10.1016/j.bmcl.2008.03.025 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine