Compound Detail
CHEMBL1494091
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Basic Information
| ChEMBL ID | CHEMBL1494091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXCSOKVUMFCIKV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.84
ALogP
6
HBA
1
HBD
81.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.42 | 5.42 | 3848.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.08 | 5.08 | 8313.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 4.76 | 4.76 | 17472.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor coactivator 3 | IC50 | = | 3848.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 8313.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 17472.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24035092 | 10.1016/j.bmcl.2013.08.079 | Receptor-type tyrosine-protein phosphatase beta | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine