Compound Detail
CHEMBL4799004
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Basic Information
| ChEMBL ID | CHEMBL4799004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRDKNOOIIXFIOE-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
453.4
MW (Da)
6.08
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of IDO1 in IFN-gamma-stimulated human HeLa cells assessed as reductio... | 33738066 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [35S]-MK499 binding to human ERG expressed in HEK293 cells incub... | 33738066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33738066 | 10.1021/acsmedchemlett.0c00525 | No relevant target | 3 |
| 33738066 | 10.1021/acsmedchemlett.0c00525 | ADMET | 2 |
| 33738066 | 10.1021/acsmedchemlett.0c00525 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 33738066 | 10.1021/acsmedchemlett.0c00525 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine