Compound Detail
CHEMBL4632601
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Basic Information
| ChEMBL ID | CHEMBL4632601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDEBRZXZAXYXPK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.9
MW (Da)
4.03
ALogP
4
HBA
2
HBD
80.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 8.49 | 8.49 | 3.2 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 44.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 84.0 | mL.min-1.kg-1 | Rattus norvegicus |
| MRT | 3.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of heme binding to IDO1 in interferon-gamma-induced human HeLa cells ... | 32292563 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of human IDO1 using L-tryptophan as substrate assessed as reduction i... | 37866714 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32292563 | 10.1021/acsmedchemlett.0c00010 | ADMET | 3 |
| 32292563 | 10.1021/acsmedchemlett.0c00010 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 32292563 | 10.1021/acsmedchemlett.0c00010 | No relevant target | 1 |
| 37866714 | 10.1016/j.bmcl.2023.129532 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine