Compound Detail
CHEMBL568287
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Basic Information
| ChEMBL ID | CHEMBL568287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLOLMSSPFLTQPK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.2
MW (Da)
0.91
ALogP
7
HBA
3
HBD
118.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.01 | 5.685 | 970.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 970.0 | nM | 6.01 | Inhibition of indoleamine 2,3-dioxygenase in IFN-gamma-stimulated human HeLa cel... | 19507862 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of N-terminal his-tagged human indoleamine 2,3-dioxygenase expressed ... | 19507862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19507862 | 10.1021/jm900518f | Indoleamine 2,3-dioxygenase 1 | 2 |
Data from ChEMBL 36 via Core Engine