Compound Detail
CHEMBL5981334
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Basic Information
| ChEMBL ID | CHEMBL5981334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYJVCUYGHYVSMX-HBQDTLBPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
288.4
MW (Da)
3.74
ALogP
4
HBA
1
HBD
37.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.79 | 7.79 | 16.1 | 1 |
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 16.1 | nM | 7.79 | Enzymatic Assay: IDO1: Recombinant full-length human IDO1 with a N-terminal hexa... | - |
| Tryptophan 2,3-dioxygenase | IC50 | = | 190.0 | nM | 6.72 | Enzymatic Assay: TDO2: Recombinant human TDO comprising amino acids 19-407 with ... | - |
Data from ChEMBL 36 via Core Engine