Compound Detail
CHEMBL1916853
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Basic Information
| ChEMBL ID | CHEMBL1916853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHBNTJSDDOWUHZ-ZDUSSCGKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
2.16
ALogP
5
HBA
5
HBD
112.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Yersinia pestis CHEMBL614597 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.5 | 4.465 | 32000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Yersinia pestis | IC50 | = | 4000.0 | nM | 5.4 | Antimicrobial activity against Yersinia pestis KIM6-2082.1+ in PMHD medium after... | 21940166 |
| Mycobacterium tuberculosis | IC50 | = | 32000.0 | nM | 4.5 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv in GASTD medium ... | 21940166 |
| Mycobacterium tuberculosis | IC50 | = | 37000.0 | nM | 4.43 | Antimicrobial activity against Mycobacterium tuberculosis H37Rv in GASTD medium ... | 21940166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21940166 | 10.1016/j.bmcl.2011.08.052 | Yersinia pestis | 7 |
| 21940166 | 10.1016/j.bmcl.2011.08.052 | Mycobacterium tuberculosis | 7 |
| 21940166 | 10.1016/j.bmcl.2011.08.052 | HeLa | 2 |
Data from ChEMBL 36 via Core Engine