Compound Detail
CHEMBL3321980
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Basic Information
| ChEMBL ID | CHEMBL3321980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCNGNCARDVDXJO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.17
ALogP
6
HBA
2
HBD
73.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.77 | 7.675 | 17.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 21.8 | mL.min-1.g-1 | Homo sapiens |
| Fu | 0.051 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 17.0 | nM | 7.77 | Antiplasmodial activity against Plasmodium falciparum NF54 by SYBR-green based a... | 25007124 |
| Plasmodium falciparum | IC50 | = | 26.0 | nM | 7.58 | Antiplasmodial activity against Plasmodium falciparum K1 by SYBR-green based ass... | 25007124 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of human ERG | 25007124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25007124 | 10.1021/jm500715u | Plasmodium falciparum | 2 |
| 25007124 | 10.1021/jm500715u | No relevant target | 2 |
| 25007124 | 10.1021/jm500715u | Unchecked | 1 |
| 25007124 | 10.1021/jm500715u | Plasma | 1 |
| 25007124 | 10.1021/jm500715u | ADMET | 1 |
| 25007124 | 10.1021/jm500715u | Hepatocyte | 1 |
| 25007124 | 10.1021/jm500715u | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine