Compound Detail
CHEMBL4586918
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4586918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWNZQAHWRLIRPK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
4.88
ALogP
7
HBA
2
HBD
75.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.76
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 5.76 | 5.76 | 1730.0 | 1 |
| L929 CHEMBL612267 | EC50 | 4.81 | 4.81 | 15500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.54 | mL.min-1.g-1 | Mus musculus |
| CL | 1.42 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 5.02 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay | 31566384 |
| Plasmodium falciparum | EC50 | = | 1730.0 | nM | 5.76 | Antiplasmodial activity against Plasmodium falciparum 3D7A erythrocytic stage as... | 31566384 |
| L929 | EC50 | = | 15500.0 | nM | 4.81 | Cytotoxicity against mouse L929 cells assessed as reduction in viability by dual... | 31566384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31566384 | 10.1021/acs.jmedchem.9b01099 | Plasmodium falciparum | 3 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | No relevant target | 3 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | ADMET | 3 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | cGMP-dependent protein kinase | 1 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | L929 | 1 |
| 31566384 | 10.1021/acs.jmedchem.9b01099 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine