Compound Detail
CHEMBL5077922
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5077922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDDICYZKIWIRAX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
536.5
MW (Da)
6.49
ALogP
4
HBA
4
HBD
89.0
PSA (Ų)
0.12
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.58 | 5.56 | 2610.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2610.0 | nM | 5.58 | Inhibition of IDO1 in human HeLa cells | 34560264 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of recombinant human IDO1 | 34560264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34560264 | 10.1016/j.bmcl.2021.128373 | Indoleamine 2,3-dioxygenase 1 | 2 |
Data from ChEMBL 36 via Core Engine