Compound Detail
CHEMBL4633874
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Basic Information
| ChEMBL ID | CHEMBL4633874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTXKXLJFSQNVKD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
440.3
MW (Da)
5.70
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1900.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 500.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 3.6 | nM | 8.44 | Inhibition of heme binding to IDO1 in interferon-gamma-induced human HeLa cells ... | 32292563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32292563 | 10.1021/acsmedchemlett.0c00010 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 32292563 | 10.1021/acsmedchemlett.0c00010 | ADMET | 2 |
| 32292563 | 10.1021/acsmedchemlett.0c00010 | No relevant target | 1 |
| 32292563 | 10.1021/acsmedchemlett.0c00010 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine