Compound Detail
CHEMBL4746735
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Basic Information
| ChEMBL ID | CHEMBL4746735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWSZQTFPQCCKFE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.3
MW (Da)
4.65
ALogP
4
HBA
4
HBD
103.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.33 | 5.33 | 4620.0 | 1 |
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 5.02 | 5.02 | 9630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 4620.0 | nM | 5.33 | Inhibition of recombinant human IDO1 assessed as reduction in kynurenine formati... | 31881488 |
| Tryptophan 2,3-dioxygenase | IC50 | = | 9630.0 | nM | 5.02 | Inhibition of recombinant human TDO assessed as reduction in kynurenine formatio... | 31881488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31881488 | 10.1016/j.ejmech.2019.111985 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 31881488 | 10.1016/j.ejmech.2019.111985 | Tryptophan 2,3-dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine