Compound Detail
CHEMBL4434696
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Basic Information
| ChEMBL ID | CHEMBL4434696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKUWPUZYZWALRN-ZDUSSCGKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
2.42
ALogP
6
HBA
2
HBD
88.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.54 | 4.54 | 29100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11300.0 | nM | 4.95 | Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl alpha-D-glu... | 32247751 |
| Plasmodium falciparum | IC50 | = | 29100.0 | nM | 4.54 | Antiplasmodial activity against multidrug-resistant Plasmodium falciparum K1 inf... | 26928423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26928423 | 10.1021/acs.jnatprod.5b01054 | Plasmodium falciparum | 2 |
| 26928423 | 10.1021/acs.jnatprod.5b01054 | Vero | 1 |
| 26928423 | 10.1021/acs.jnatprod.5b01054 | KB | 1 |
| 32247751 | 10.1016/j.bmc.2020.115462 | Unchecked | 1 |
| 32247751 | 10.1016/j.bmc.2020.115462 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine