Compound Detail
CHEMBL4472707
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Basic Information
| ChEMBL ID | CHEMBL4472707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYERLHMMORRFIS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
3.89
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.39 | 6.39 | 407.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 407.0 | nM | 6.39 | Inhibition of IDO1 in IFNgamma-stimulated human A375 cells assessed as reduction... | 32150677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32150677 | 10.1021/acs.jmedchem.9b01809 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 32150677 | 10.1021/acs.jmedchem.9b01809 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine