Compound Detail
CHEMBL5094068
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Basic Information
| ChEMBL ID | CHEMBL5094068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KESODISIYIYWQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.48
ALogP
7
HBA
1
HBD
92.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 6.3 | nM | 8.2 | Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells assessed as reduction... | 34854662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34854662 | 10.1021/acs.jmedchem.1c01305 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine