Compound Detail
CHEMBL579014
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Basic Information
| ChEMBL ID | CHEMBL579014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUWUCFIAGRPKQM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
253.7
MW (Da)
1.55
ALogP
6
HBA
3
HBD
109.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.72 | 7.2867 | 19.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 18.33 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cel... | 19507862 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 86.0 | nM | 7.07 | Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed ... | 19507862 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 86.0 | nM | 7.07 | Inhibition of IDO1 by magnetic circular dichroism spectroscopic analysis | 22112538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19507862 | 10.1021/jm900518f | Indoleamine 2,3-dioxygenase 1 | 2 |
| 19507862 | 10.1021/jm900518f | Homo sapiens | 1 |
| 22112538 | 10.1016/j.bmc.2011.10.068 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine