Compound Detail
CHEMBL3289799
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Basic Information
| ChEMBL ID | CHEMBL3289799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGCJUDXMBSEEBD-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
322.2
MW (Da)
3.66
ALogP
4
HBA
2
HBD
64.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.39 | 7.8533 | 4.1 | 6 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 25.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 213.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4.09 | nM | 8.39 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR I... | 24914738 |
| Plasmodium falciparum | IC50 | = | 7.0 | nM | 8.15 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 a... | 24914738 |
| Plasmodium falciparum | IC50 | = | 11.57 | nM | 7.94 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR I ... | 24914738 |
| Plasmodium falciparum | IC50 | = | 18.0 | nM | 7.75 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54... | 24914738 |
| Plasmodium falciparum | IC50 | = | 30.0 | nM | 7.52 | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR I... | 24914738 |
| Plasmodium falciparum | IC50 | = | 42.5 | nM | 7.37 | Antiplasmodial activity against Plasmodium falciparum SB1 after 72 hrs by SYBR I... | 24914738 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of human ERG | 24914738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24914738 | 10.1021/jm500535j | Plasmodium falciparum | 6 |
| 24914738 | 10.1021/jm500535j | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24914738 | 10.1021/jm500535j | Liver microsome | 1 |
| 24914738 | 10.1021/jm500535j | Hepatocyte | 1 |
| 24914738 | 10.1021/jm500535j | Liver | 1 |
| 24914738 | 10.1021/jm500535j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine