Compound Detail
CHEMBL3628594
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 | CHEMBL3628594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWKCPVFHVAKFAB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
1.80
ALogP
6
HBA
1
HBD
102.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 6.51 | 6.51 | 312.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.63 | 5.63 | 2323.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase | IC50 | = | 312.0 | nM | 6.51 | Inhibition of recombinant human TDO expressed in Escherichia coli incubated for ... | 26348881 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2323.0 | nM | 5.63 | Inhibition of recombinant human IDO expressed in Escherichia coli incubated for ... | 26348881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26348881 | 10.1021/acs.jmedchem.5b00921 | Tryptophan 2,3-dioxygenase | 1 |
| 26348881 | 10.1021/acs.jmedchem.5b00921 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 26348881 | 10.1021/acs.jmedchem.5b00921 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine