Compound Detail
CHEMBL402834
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Basic Information
| ChEMBL ID | CHEMBL402834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGZGEJSUZRVTIR-FQEVSTJZSA-N |
2
Targets
3
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 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AMP-binding enzyme family protein CHEMBL3308969 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.52 | 5.46 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AMP-binding enzyme family protein | IC50 | = | 400.0 | nM | 6.4 | Inhibition of Yersinia pestis YbtE assessed as incorporation of [3H]salicyl grou... | 18394884 |
| Mycobacterium tuberculosis | IC50 | = | 3000.0 | nM | 5.52 | Antimycobacterial activity against Mycobacterium tuberculosis H37Rv in presence ... | 18394884 |
| Mycobacterium tuberculosis | IC50 | = | 4000.0 | nM | 5.4 | 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 | 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