Compound Detail
CHEMBL4079351
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 | CHEMBL4079351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJUOIRMCCFIGCW-HMMYKYKNSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.92
ALogP
6
HBA
2
HBD
74.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.04
IC50 1 meas. best 5.56
Kd 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.56 | 5.56 | 2780.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | EC50 | 5.04 | 5.04 | 9171.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | Kd | 5.01 | 5.01 | 9828.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2780.0 | nM | 5.56 | Inhibition of recombinant human His-tagged IDO1 expressed in Escherichia coli BL... | 28526475 |
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 9171.0 | nM | 5.04 | Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells using L-tryptophan a... | 28526475 |
| Indoleamine 2,3-dioxygenase 1 | Kd | = | 9828.0 | nM | 5.01 | Binding affinity to human IDO1 by SPR assay | 28526475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28526475 | 10.1016/j.bmc.2017.05.017 | Indoleamine 2,3-dioxygenase 1 | 4 |
| 28165739 | 10.1021/acs.jmedchem.6b01785 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 2 |
Data from ChEMBL 36 via Core Engine