Compound Detail
CHEMBL3190283
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CC(=O)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc2ccccc2c(=O)n1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3190283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLDJSJIEPCUBHQ-LPYMAVHISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
3.27
ALogP
8
HBA
0
HBD
123.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.34 | 4.34 | 45169.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 45169.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Absorbance-based bacterial cell-based high throughput dose res... | - |
| Unchecked | IC50 | = | 45933.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
Data from ChEMBL 36 via Core Engine