Compound Detail
CHEMBL3752711
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Basic Information
| ChEMBL ID | CHEMBL3752711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTRRAUACYORZLX-FUHWJXTLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
3.78
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.22 | 7.09 | 60.0 | 2 |
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of human IDO1 using tryptophan as substrate assessed as reduction in ... | 39106326 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated f... | 31264862 |
| Tryptophan 2,3-dioxygenase | IC50 | = | 370.0 | nM | 6.43 | Inhibition of full length N-terminal/C-terminal his-tagged human TDO expressed i... | 39106326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26642377 | 10.1021/acs.jmedchem.5b01390 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 39106326 | 10.1021/acs.jmedchem.4c01360 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 39106326 | 10.1021/acs.jmedchem.4c01360 | Tryptophan 2,3-dioxygenase | 1 |
Data from ChEMBL 36 via Core Engine