Compound Detail
CHEMBL1454391
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Basic Information
| ChEMBL ID | CHEMBL1454391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILNIFRXBRZEREE-HNNXBMFYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
1.59
ALogP
6
HBA
2
HBD
106.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.47 | 4.3233 | 34070.0 | 3 |
| No relevant target CHEMBL2362975 | IC50 | 4.33 | 4.33 | 46448.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 34070.0 | nM | 4.47 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 45776.0 | nM | 4.34 | PubChem BioAssay. Absorbance-based bacterial cell-based high throughput dose res... | - |
| No relevant target | IC50 | = | 46448.0 | nM | 4.33 | PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... | - |
| Unchecked | IC50 | = | 69054.0 | nM | 4.16 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Data from ChEMBL 36 via Core Engine