Compound Detail
CHEMBL3289816
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Basic Information
| ChEMBL ID | CHEMBL3289816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZRKYZUNOZBMIE-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.2
MW (Da)
3.25
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.53 | 6.8767 | 29.2 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 29.25 | nM | 7.53 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR I... | 24914738 |
| Plasmodium falciparum | IC50 | = | 50.0 | nM | 7.3 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 a... | 24914738 |
| Plasmodium falciparum | IC50 | = | 110.49 | nM | 6.96 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR I ... | 24914738 |
| Plasmodium falciparum | IC50 | = | 180.0 | nM | 6.75 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54... | 24914738 |
| Plasmodium falciparum | IC50 | = | 410.2 | nM | 6.39 | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR I... | 24914738 |
| Plasmodium falciparum | IC50 | = | 471.9 | nM | 6.33 | Antiplasmodial activity against Plasmodium falciparum SB1 after 72 hrs by SYBR I... | 24914738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24914738 | 10.1021/jm500535j | Plasmodium falciparum | 6 |
| 24914738 | 10.1021/jm500535j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine