Compound Detail
CHEMBL573686
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Basic Information
| ChEMBL ID | CHEMBL573686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOFDQJMABCOFNN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
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 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.62 | 5.3533 | 2400.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cel... | 19507862 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed ... | 19507862 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 6000.0 | nM | 5.22 | 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 |
| 22112538 | 10.1016/j.bmc.2011.10.068 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine