Compound Detail
CHEMBL2376544
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O=[N+]([O-])c1ccc(C(c2c[nH]c3ccc(I)cc23)c2c[nH]c3ccc(I)cc23)o1
Basic Information
| ChEMBL ID | CHEMBL2376544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZYCXPCOCKWVDQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
609.2
MW (Da)
6.54
ALogP
3
HBA
2
HBD
87.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania donovani CHEMBL367 | IC50 | 5.52 | 5.06 | 3020.0 | 2 |
| Staphylococcus aureus CHEMBL352 | IC50 | 5.12 | 5.035 | 7520.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania donovani | IC50 | = | 3020.0 | nM | 5.52 | Antileishmanial activity against promastigote of Leishmania donovani after 72 hr... | 23517732 |
| Staphylococcus aureus | IC50 | = | 7520.0 | nM | 5.12 | Antibacterial activity against Staphylococcus aureus ATCC 29213 by CLSI method | 23517732 |
| Staphylococcus aureus | IC50 | = | 11280.0 | nM | 4.95 | Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... | 23517732 |
| Leishmania donovani | IC50 | = | 25320.0 | nM | 4.6 | Antileishmanial activity against axenic amastigote of Leishmania donovani after ... | 23517732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Staphylococcus aureus | 6 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Leishmania donovani | 4 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Mycobacterium intracellulare | 3 |
| 23517732 | 10.1016/j.ejmech.2013.02.024 | Vero | 1 |
Data from ChEMBL 36 via Core Engine