Compound Detail
CHEMBL5619903
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Basic Information
| ChEMBL ID | CHEMBL5619903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHZNRLGAMIRVHA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
3.62
ALogP
4
HBA
1
HBD
51.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.15 | 5.475 | 710.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase | IC50 | = | 450.0 | nM | 6.35 | Inhibition of N-terminal His-tagged recombinant human TDO extracted from Escheri... | 39276584 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 710.0 | nM | 6.15 | Inhibition of N-terminal His-tagged recombinant human IDO1 extracted from Escher... | 39276584 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 15800.0 | nM | 4.8 | Inhibition of IDO1 in IFN-gamma induced human HeLa cells using L-tryptophan as s... | 39276584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39276584 | 10.1016/j.ejmech.2024.116852 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 39276584 | 10.1016/j.ejmech.2024.116852 | Tryptophan 2,3-dioxygenase | 2 |
Data from ChEMBL 36 via Core Engine