Compound Detail
CHEMBL509549
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 | CHEMBL509549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMNQZTQDHXFNPD-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
176.2
MW (Da)
1.49
ALogP
3
HBA
3
HBD
69.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
EC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.28 | 5.28 | 5300.0 | 2 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | EC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of human recombinant indoleamine 2,3-dioxygenase in presence of L-try... | 18665584 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of IDO1 (unknown origin) | 26207924 |
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 60000.0 | nM | 4.22 | Inhibition of recombinant human IDO1 expressed in T-REx-293 cells assessed as re... | 31264862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18665584 | 10.1021/jm800512z | Indoleamine 2,3-dioxygenase 1 | 1 |
| 26207924 | 10.1021/acs.jmedchem.5b00461 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine