Compound Detail
CHEMBL4467515
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 | CHEMBL4467515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZLGDNBVPZDDHN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.92
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
EC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.26 | 5.83 | 550.0 | 2 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 550.0 | nM | 6.26 | Enzymatic IDO Assay: The IC50 values for each compound were determined by testin... | - |
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 2700.0 | nM | 5.57 | Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as re... | 31264862 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated f... | 31264862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Cytochrome P450 3A4 | 1 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Cytochrome P450 2D6 | 1 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Cytochrome P450 1A2 | 1 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Cytochrome P450 2B6 | 1 |
Data from ChEMBL 36 via Core Engine