Compound Detail
CHEMBL4454031
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Basic Information
| ChEMBL ID | CHEMBL4454031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHUGVSRDCOYHDF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
266.4
MW (Da)
4.81
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.96
IC50 1 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 135.0 | nM | 6.87 | Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated f... | 31264862 |
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 1100.0 | nM | 5.96 | Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as re... | 31264862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Indoleamine 2,3-dioxygenase 1 | 2 |
Data from ChEMBL 36 via Core Engine