Compound Detail
CHEMBL3628602
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 | CHEMBL3628602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUSNTHKBTAFNRF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
1.49
ALogP
7
HBA
0
HBD
88.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 7.52 | 7.245 | 30.0 | 2 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.68 | 5.68 | 2069.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of TDO (unknown origin) | 30773421 |
| Tryptophan 2,3-dioxygenase | IC50 | = | 108.0 | nM | 6.97 | Inhibition of recombinant human TDO expressed in Escherichia coli incubated for ... | 26348881 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 2069.0 | nM | 5.68 | 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 |
| 30773421 | 10.1016/j.bmc.2019.02.014 | Tryptophan 2,3-dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine