Compound Detail
CHEMBL1427717
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Basic Information
| ChEMBL ID | CHEMBL1427717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDQMPWLUTRICDE-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
1.87
ALogP
9
HBA
3
HBD
135.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.83 | 4.83 | 14705.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.83 | 4.584 | 14619.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 14705.0 | nM | 4.83 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
| Unchecked | IC50 | = | 14619.0 | nM | 4.83 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
| Unchecked | IC50 | = | 18230.0 | nM | 4.74 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 34720.0 | nM | 4.46 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 35880.0 | nM | 4.45 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 36670.0 | nM | 4.44 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
Data from ChEMBL 36 via Core Engine