Compound Detail
CHEMBL3629570
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 | CHEMBL3629570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSQQWDUUFGXQKN-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.99
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.33
EC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.33 | 6.33 | 468.0 | 2 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | EC50 | 6.13 | 6.13 | 749.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 468.0 | nM | 6.33 | Inhibition of recombinant human IDO1 assessed as conversion of N-formylkynurenin... | 26642377 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 468.0 | nM | 6.33 | Inhibition of IDO1 (unknown origin) | 34752953 |
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 749.0 | nM | 6.13 | Inhibition of IDO1 in IFNgamma-stimulated human HeLa cells incubated for 24 hrs | 26642377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26642377 | 10.1021/acs.jmedchem.5b01390 | Indoleamine 2,3-dioxygenase 1 | 3 |
| 26207924 | 10.1021/acs.jmedchem.5b00461 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 26207924 | 10.1021/acs.jmedchem.5b00461 | Tryptophan 2,3-dioxygenase | 1 |
| 34752953 | 10.1016/j.ejmech.2021.113967 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine