Compound Detail
CHEMBL4552649
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Basic Information
| ChEMBL ID | CHEMBL4552649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSMFRVXLUQEKDR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.2
MW (Da)
2.55
ALogP
8
HBA
4
HBD
133.9
PSA (Ų)
0.12
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.98 | 7.46 | 10.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 10.5 | nM | 7.98 | Inhibition of IDO1 in human HeLa cells using L-tryptophan as substrate incubated... | 31445231 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 114.0 | nM | 6.94 | Inhibition of recombinant N-terminal His-tagged human IDO1 expressed in Escheric... | 31445231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31445231 | 10.1016/j.ejmech.2019.111629 | Indoleamine 2,3-dioxygenase 1 | 2 |
Data from ChEMBL 36 via Core Engine