Compound Detail
CHEMBL38596
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Basic Information
| ChEMBL ID | CHEMBL38596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VINZHXJVOFAMRY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
250.3
MW (Da)
4.44
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 4.96 | 4.96 | 10840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase | IC50 | = | 10840.0 | nM | 4.96 | Inhibition of TDO (unknown origin) assessed as reduction in N-formylkynurenine f... | 35938398 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00247-Q | Rattus norvegicus | 4 |
| 35938398 | 10.1021/acs.jmedchem.2c00677 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 35938398 | 10.1021/acs.jmedchem.2c00677 | Tryptophan 2,3-dioxygenase | 2 |
Data from ChEMBL 36 via Core Engine