Compound Detail
CHEMBL2435699
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Basic Information
| ChEMBL ID | CHEMBL2435699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVQKPNKAZGDBDA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
413.9
MW (Da)
3.74
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.33 | 5.33 | 4710.0 | 1 |
| HEK-293T CHEMBL3706568 | IC50 | 4.42 | 4.42 | 37900.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.34 | 4.34 | 45700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4710.0 | nM | 5.33 | Antiplasmodial activity against ring stage of chloroquine-resistant Plasmodium f... | 24077527 |
| HEK-293T | IC50 | = | 37900.0 | nM | 4.42 | Cytotoxicity against HEK293T cells assessed as cell viability after 48 hrs by MT... | 24077527 |
| NIH3T3 | IC50 | = | 45700.0 | nM | 4.34 | Cytotoxicity against mouse NIH/3T3 cells assessed as cell viability after 48 hrs... | 24077527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Unchecked | 2 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | HEK-293T | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | NIH3T3 | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Plasmodium falciparum | 1 |
| 24077527 | 10.1016/j.ejmech.2013.08.037 | Papain | 1 |
Data from ChEMBL 36 via Core Engine