Compound Detail
CHEMBL4455007
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 | CHEMBL4455007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUHAKEYVFFILBK-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
194.6
MW (Da)
2.44
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
EC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.55 | 6.3067 | 280.0 | 3 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | EC50 | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of recombinant human IDO1 expressed in Escherichia coli Rosetta (DE3)... | 33557523 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 490.0 | nM | 6.31 | Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated f... | 31264862 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 880.0 | nM | 6.06 | Inhibition of human IDO1 expressed in HEK293T cells assessed as reduction in kyn... | 33557523 |
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 940.0 | nM | 6.03 | Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as re... | 31264862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 33557523 | 10.1021/acs.jmedchem.0c01968 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 33557523 | 10.1021/acs.jmedchem.0c01968 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine