Compound Detail
CHEMBL5200418
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 | CHEMBL5200418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKWJZFVLAJSQLZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
2.66
ALogP
9
HBA
2
HBD
101.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.3
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9464.02 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 1113.0 | nM | Rattus norvegicus |
| T1/2 | 18.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 5.0 | nM | 8.3 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 35229610 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of hERG by Qpatch-clamp method | 35229610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35229610 | 10.1021/acs.jmedchem.1c01995 | ADMET | 7 |
| 35229610 | 10.1021/acs.jmedchem.1c01995 | Plasmodium falciparum | 1 |
| 35229610 | 10.1021/acs.jmedchem.1c01995 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 35229610 | 10.1021/acs.jmedchem.1c01995 | No relevant target | 1 |
| 35229610 | 10.1021/acs.jmedchem.1c01995 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine