Compound Detail
CHEMBL5952946
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 | CHEMBL5952946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWSLNDIQSUMPKZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.2
MW (Da)
1.66
ALogP
8
HBA
4
HBD
124.0
PSA (Ų)
0.19
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.46 | 7.37 | 34.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 34.8 | nM | 7.46 | Enzyme Assay: HIS-tagged IDO1 protein was recombinantly expressed in Escherichia... | - |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 46.1 | nM | 7.34 | Enzyme Assay: HIS-tagged IDO1 protein was recombinantly expressed in Escherichia... | - |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 49.1 | nM | 7.31 | Enzyme Assay: HIS-tagged IDO1 protein was recombinantly expressed in Escherichia... | - |
Data from ChEMBL 36 via Core Engine