Compound Detail
CHEMBL5190339
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Basic Information
| ChEMBL ID | CHEMBL5190339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFVHQTVVHQPDCS-NWDGAFQWSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.48
ALogP
7
HBA
1
HBD
68.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.58
IC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.58 | 7.565 | 26.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.06 | 4.96 | 8800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 26.0 | nM | 7.58 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 35229610 |
| Plasmodium falciparum | EC50 | = | 28.0 | nM | 7.55 | Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythr... | 35229610 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of hERG by Qpatch-clamp method | 35229610 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 13900.0 | nM | 4.86 | Inhibition of hERG by Qpatch-clamp method | 35229610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35229610 | 10.1021/acs.jmedchem.1c01995 | No relevant target | 4 |
| 35229610 | 10.1021/acs.jmedchem.1c01995 | Plasmodium falciparum | 2 |
| 35229610 | 10.1021/acs.jmedchem.1c01995 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
Data from ChEMBL 36 via Core Engine