Compound Detail
CHEMBL4779669
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Basic Information
| ChEMBL ID | CHEMBL4779669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDYSCDNIOXVFKA-SNVBAGLBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.3
MW (Da)
2.30
ALogP
8
HBA
3
HBD
132.9
PSA (Ų)
0.24
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.9 | 6.67 | 125.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 125.44 | nM | 6.9 | Inhibition of human IDO1 expressed in HEK293T cells assessed as reduction in N-f... | 31981851 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 363.2 | nM | 6.44 | Inhibition of recombinant human IDO1 assessed as reduction in kynurenine product... | 31981851 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31981851 | 10.1016/j.ejmech.2020.112059 | Indoleamine 2,3-dioxygenase 1 | 2 |
Data from ChEMBL 36 via Core Engine