Compound Detail
CHEMBL4871312
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Basic Information
| ChEMBL ID | CHEMBL4871312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLZNCOGLABONRN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
194.6
MW (Da)
1.71
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.47 | 7.465 | 34.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of human IDO1 expressed in HEK293T cells assessed as reduction in kyn... | 33557523 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3)... | 33557523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33557523 | 10.1021/acs.jmedchem.0c01968 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 33557523 | 10.1021/acs.jmedchem.0c01968 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine