Compound Detail
CHEMBL217786
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Basic Information
| ChEMBL ID | CHEMBL217786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWDMGEVSTYEXRO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
235.4
MW (Da)
3.00
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.92 | 4.5933 | 12000.0 | 3 |
| Heme CHEMBL4651321 | IC50 | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 12000.0 | nM | 4.92 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 as... | - |
| Plasmodium falciparum | IC50 | = | 15000.0 | nM | 4.82 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum K1 ass... | - |
| Plasmodium falciparum | IC50 | = | 92000.0 | nM | 4.04 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
| Heme | IC50 | = | 92000.0 | nM | 4.04 | Inhibition of heme polymerization in Plasmodium falciparum after 15 min by liqui... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064070 | 10.1021/jm060736s | HepG2 | 4 |
| 17064070 | 10.1021/jm060736s | HeLa | 2 |
| - | 10.1007/s00044-007-9025-8 | Plasmodium falciparum | 2 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
| - | 10.1007/s00044-007-9025-8 | Heme | 1 |
Data from ChEMBL 36 via Core Engine