Compound Detail
CHEMBL4578338
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Basic Information
| ChEMBL ID | CHEMBL4578338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCMJYRYVAMKYLN-UHFFFAOYSA-N |
3
Targets
9
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.06
ALogP
5
HBA
0
HBD
55.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.75
Ki 3 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 2,3-dioxygenase CHEMBL2140 | Ki | 5.81 | 5.81 | 1560.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.75 | 5.7 | 1800.0 | 2 |
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 5.43 | 5.215 | 3700.0 | 2 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | Ki | 5.36 | 5.36 | 4340.0 | 1 |
| Indoleamine 2,3-dioxygenase 2 CHEMBL3627587 | IC50 | 4.65 | 4.525 | 22220.0 | 2 |
| Indoleamine 2,3-dioxygenase 2 CHEMBL3627587 | Ki | 4.57 | 4.57 | 26790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31580660 | 10.1021/acs.jmedchem.9b01079 | Indoleamine 2,3-dioxygenase 1 | 3 |
| 31580660 | 10.1021/acs.jmedchem.9b01079 | Indoleamine 2,3-dioxygenase 2 | 3 |
| 31580660 | 10.1021/acs.jmedchem.9b01079 | Tryptophan 2,3-dioxygenase | 3 |
Data from ChEMBL 36 via Core Engine