Compound Detail
CHEMBL4548296
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Cc1oc(C)c(-c2ccc(N(CC(C)C)C3CCCCC3)c(NC(=O)Nc3ccc(F)cc3)c2)c1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4548296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STEUQXQWGRIJHQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
7.84
ALogP
4
HBA
3
HBD
94.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 8.24 | 8.165 | 5.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 5.7 | nM | 8.24 | Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reductio... | 30858027 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 8.1 | nM | 8.09 | Inhibition of IDO1 in IFN-gamma/LPS stimulated human THP-1 cells assessed as red... | 30858027 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30858027 | 10.1016/j.bmc.2019.03.005 | Indoleamine 2,3-dioxygenase 1 | 14 |
Data from ChEMBL 36 via Core Engine