Compound Detail
CHEMBL5180636
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Basic Information
| ChEMBL ID | CHEMBL5180636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZPFJROBBBOMNQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.7
MW (Da)
5.04
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 4.87 | 4.87 | 13390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase | IC50 | = | 13390.0 | nM | 4.87 | Inhibition of TDO (unknown origin) assessed as reduction in N-formylkynurenine f... | 35938398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35938398 | 10.1021/acs.jmedchem.2c00677 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 35938398 | 10.1021/acs.jmedchem.2c00677 | Tryptophan 2,3-dioxygenase | 2 |
| 37478957 | 10.1016/j.bmcl.2023.129410 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine