Compound Detail
CHEMBL3758822
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Basic Information
| ChEMBL ID | CHEMBL3758822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCAYNSCJIGTKCW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
1.56
ALogP
4
HBA
1
HBD
29.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.69 | 5.345 | 206.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.2 | 5.12 | 6280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 206.0 | nM | 6.69 | Inhibition of voltage-gated calcium channel in Plasmodium flaciparum Dd2 cells a... | 26832222 |
| Plasmodium falciparum | IC50 | = | 6280.0 | nM | 5.2 | Antiplasmodial activity against multidrug resistant Plasmodium falciparum Dd2 by... | 26832222 |
| Plasmodium falciparum | IC50 | = | 9090.0 | nM | 5.04 | Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum NF54... | 26832222 |
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of voltage-gated calcium channel in Wistar rat synaptoneurosomes afte... | 26832222 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26832222 | 10.1016/j.bmcl.2016.01.052 | Unchecked | 7 |
| 26832222 | 10.1016/j.bmcl.2016.01.052 | Plasmodium falciparum | 2 |
| 26832222 | 10.1016/j.bmcl.2016.01.052 | CHO | 1 |
Data from ChEMBL 36 via Core Engine