Compound Detail
CHEMBL4868286
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Basic Information
| ChEMBL ID | CHEMBL4868286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEFZUMMXCKZZDF-UWUNEBHHSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.9
MW (Da)
5.85
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 455.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 44.0 | 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 | = | 108.0 | nM | 6.97 | Inhibition of IDO1 in human HeLa cells using tryptophan as substrate incubated f... | 34292726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34292726 | 10.1021/acs.jmedchem.1c00679 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 34292726 | 10.1021/acs.jmedchem.1c00679 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine