Compound Detail
CHEMBL2312003
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Basic Information
| ChEMBL ID | CHEMBL2312003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGBALRIWWANUEK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
340.2
MW (Da)
4.22
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
| SK-MES-1 CHEMBL614923 | IC50 | 4.13 | 4.13 | 73900.0 | 1 |
| AGS CHEMBL613860 | IC50 | 4.02 | 4.02 | 94900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 52000.0 | nM | 4.28 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum FCR-... | 23164712 |
| SK-MES-1 | IC50 | = | 73900.0 | nM | 4.13 | Cytotoxicity against human SKMES1 cells assessed as cell viability after 72 hrs ... | 23454511 |
| AGS | IC50 | = | 94900.0 | nM | 4.02 | Cytotoxicity against human AGS cells assessed as cell viability after 72 hrs by ... | 23454511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23164712 | 10.1016/j.bmcl.2012.10.092 | Unchecked | 1 |
| 23164712 | 10.1016/j.bmcl.2012.10.092 | MRC5 | 1 |
| 23164712 | 10.1016/j.bmcl.2012.10.092 | Plasmodium falciparum | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | J82 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | MRC5 | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | AGS | 1 |
| 23454511 | 10.1016/j.ejmech.2013.01.049 | SK-MES-1 | 1 |
Data from ChEMBL 36 via Core Engine