Compound Detail
CHEMBL4646028
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Basic Information
| ChEMBL ID | CHEMBL4646028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJKYKKMSXZVPCW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
477.3
MW (Da)
1.96
ALogP
8
HBA
4
HBD
141.7
PSA (Ų)
0.19
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.57
IC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | EC50 | 6.57 | 6.57 | 268.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.51 | 6.51 | 312.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 268.0 | nM | 6.57 | Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells assessed as reductio... | 32088128 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 312.0 | nM | 6.51 | Inhibition of IDO1 (unknown origin) assessed as reduction in kynurenine formatio... | 32088128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32088128 | 10.1016/j.bmcl.2020.127038 | Indoleamine 2,3-dioxygenase 1 | 2 |
Data from ChEMBL 36 via Core Engine