Compound Detail
CHEMBL3747548
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Basic Information
| ChEMBL ID | CHEMBL3747548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIWSAOOCFITISA-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.18
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 5.26 | 5.13 | 5500.0 | 2 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.26 | 5.0867 | 5500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 5500.0 | nM | 5.26 | Enzymatic IDO Assay: The IC50 values for each compound were determined by testin... | - |
| Tryptophan 2,3-dioxygenase | IC50 | = | 5500.0 | nM | 5.26 | Enzymatic TDO Assay: The IC50 values for each compound were determined by testin... | - |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of C-terminal 6His-tagged human IDO using L-tryptophan as substrate p... | 25970480 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 10000.0 | nM | 5.0 | Enzymatic IDO Assay: The IC50 values for each compound were determined by testin... | - |
| Tryptophan 2,3-dioxygenase | IC50 | = | 10000.0 | nM | 5.0 | Enzymatic TDO Assay: The IC50 values for each compound were determined by testin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26642377 | 10.1021/acs.jmedchem.5b01390 | Indoleamine 2,3-dioxygenase 1 | 3 |
| 25970480 | 10.1021/acs.jmedchem.5b00326 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine