Compound Detail
CHEMBL4780715
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Basic Information
| ChEMBL ID | CHEMBL4780715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVBCIJLYABLIRW-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.01
ALogP
6
HBA
0
HBD
61.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium CHEMBL4888483 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.51 | 6.4033 | 310.0 | 3 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.13 | 5.13 | 7410.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4333 | hr | Homo sapiens |
| T1/2 | 0.1167 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium | IC50 | = | 170.0 | nM | 6.77 | Antiplasmodial activity against Plasmodium | 39291016 |
| Plasmodium falciparum | IC50 | = | 310.0 | nM | 6.51 | Antimalarial activity against Plasmodium falciparum 3D7 assessed as inhibition o... | 38516592 |
| Plasmodium falciparum | IC50 | = | 370.0 | nM | 6.43 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | 34748707 |
| Plasmodium falciparum | IC50 | = | 540.0 | nM | 6.27 | Antimalarial activity against Plasmodium falciparum Dd2 assessed as inhibition o... | 38516592 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 7410.0 | nM | 5.13 | Inhibition of human ERG | 32678591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32678591 | 10.1021/acs.jmedchem.0c00746 | No relevant target | 2 |
| 32678591 | 10.1021/acs.jmedchem.0c00746 | ADMET | 2 |
| 34748707 | 10.1021/acs.jmedchem.1c00313 | Unchecked | 2 |
| 38516592 | 10.1039/d3md00490b | Plasmodium falciparum | 2 |
| 32678591 | 10.1021/acs.jmedchem.0c00746 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 34748707 | 10.1021/acs.jmedchem.1c00313 | Plasmodium falciparum | 1 |
| 39291016 | 10.1021/acsmedchemlett.4c00131 | Plasmodium | 1 |
Data from ChEMBL 36 via Core Engine