Compound Detail
CHEMBL5207194
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Basic Information
| ChEMBL ID | CHEMBL5207194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBXAYRHDZBOZCA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
4.98
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 10.1 | 9.37 | 0.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 365.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6156.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 0.08 | nM | 10.1 | Inhibition of IDO1 in IFNgamma/LPS stimulated human whole blood assessed as unbo... | 35239336 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2.3 | nM | 8.64 | Inhibition of IDO1 in IFN gamma-stimulated human HeLa cells measured after 48 hr... | 35239336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35239336 | 10.1021/acs.jmedchem.1c01670 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 35239336 | 10.1021/acs.jmedchem.1c01670 | No relevant target | 2 |
| 35239336 | 10.1021/acs.jmedchem.1c01670 | ADMET | 2 |
| 35239336 | 10.1021/acs.jmedchem.1c01670 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine