Compound Detail
CHEMBL5087424
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CC(C)CN(CC(C)C)c1ccc(/C(=N/O)Nc2ccc(F)c(Br)c2)cc1NC(=O)Nc1ccc(C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL5087424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLQPXYOKESPQKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
638.5
MW (Da)
8.62
ALogP
4
HBA
4
HBD
89.0
PSA (Ų)
0.06
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.68 | 5.68 | 2090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2090.0 | nM | 5.68 | Inhibition of IDO1 in human HeLa cells | 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