Compound Detail
CHEMBL3234395
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3234395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJBIGTMRFCILFU-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
397.2
MW (Da)
5.63
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Staphylococcus aureus CHEMBL352 | IC50 | 4.5 | 4.2933 | 32000.0 | 3 |
| Staphylococcus epidermidis CHEMBL353 | IC50 | 4.5 | 4.3967 | 32000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Staphylococcus aureus | IC50 | = | 32000.0 | nM | 4.5 | Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... | 24571273 |
| Staphylococcus epidermidis | IC50 | = | 32000.0 | nM | 4.5 | Antibacterial activity against methicillin-sensitive Staphylococcus epidermidis ... | 24571273 |
| Staphylococcus epidermidis | IC50 | = | 32000.0 | nM | 4.5 | Antibacterial activity against methicillin-sensitive Staphylococcus epidermidis ... | 24571273 |
| Staphylococcus aureus | IC50 | = | 64000.0 | nM | 4.19 | Antibacterial activity against methicillin-sensitive Staphylococcus aureus ATCC ... | 24571273 |
| Staphylococcus aureus | IC50 | = | 64000.0 | nM | 4.19 | Antibacterial activity against methicillin-sensitive Staphylococcus aureus 15 af... | 24571273 |
| Staphylococcus epidermidis | IC50 | = | 64000.0 | nM | 4.19 | Antibacterial activity against methicillin-resistant Staphylococcus epidermidis ... | 24571273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24571273 | 10.1021/np5000457 | Staphylococcus aureus | 6 |
| 24571273 | 10.1021/np5000457 | Escherichia coli | 5 |
| 24571273 | 10.1021/np5000457 | Klebsiella pneumoniae | 5 |
| 24571273 | 10.1021/np5000457 | Enterococcus faecalis | 4 |
| 24571273 | 10.1021/np5000457 | Staphylococcus epidermidis | 3 |
| 24571273 | 10.1021/np5000457 | Enterococcus faecium | 3 |
| 24571273 | 10.1021/np5000457 | Bacillus thuringiensis | 1 |
| 24571273 | 10.1021/np5000457 | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine