Compound Detail
CHEMBL4217909
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Basic Information
| ChEMBL ID | CHEMBL4217909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIYFQHJPCFTFIE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
7.12
ALogP
3
HBA
3
HBD
81.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.97 | 7.8833 | 10.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 10.7 | nM | 7.97 | Inhibition of IDO1 in IFN-gamma/LPS stimulated human THP-1 cells assessed as red... | 30858027 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as inhibiti... | 29398543 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 16.4 | nM | 7.79 | Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reductio... | 30858027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30858027 | 10.1016/j.bmc.2019.03.005 | Indoleamine 2,3-dioxygenase 1 | 3 |
| 29398543 | 10.1016/j.bmcl.2018.01.010 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine