Compound Detail
CHEMBL4071112
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Basic Information
| ChEMBL ID | CHEMBL4071112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJRKLVOTGIYLNX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
243.2
MW (Da)
2.11
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.77 | 5.77 | 1700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human recombinant IDO-1 using L-Trp as substrate after 15 mins by ... | 29111717 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 1700.0 | nM | 5.77 | Assay for IDO1 Enzymatic Activity Determination: To measure enzymatic activity o... | - |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 1700.0 | nM | 5.77 | Enzymatic Activity Assay: The compounds of the present invention inhibit the enz... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29111717 | 10.1021/acs.jmedchem.7b00974 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine