Compound Detail
CHEMBL1367036
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Basic Information
| ChEMBL ID | CHEMBL1367036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVRDHKBVCDWVPD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
0.76
ALogP
7
HBA
1
HBD
106.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
EC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 4.5 | 4.5 | 31300.0 | 1 |
| Mitochondrial peptide methionine sulfoxide reductase CHEMBL2007622 | EC50 | 4.26 | 4.26 | 54373.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 31300.0 | nM | 4.5 | Inhibition of recombinant human IDO1 expressed in bacterial expression system us... | 28011425 |
| Mitochondrial peptide methionine sulfoxide reductase | EC50 | = | 54373.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28011425 | 10.1016/j.ejmech.2016.12.029 | Indoleamine 2,3-dioxygenase 1 | 4 |
| 28011425 | 10.1016/j.ejmech.2016.12.029 | Unchecked | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| 37027002 | 10.1021/acs.jmedchem.3c00039 | HAT1/Rbap46 | 1 |
Data from ChEMBL 36 via Core Engine