Compound Detail
CHEMBL2402788
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Basic Information
| ChEMBL ID | CHEMBL2402788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQMUACQEDBESIP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.9
MW (Da)
5.78
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.66 | 7.4933 | 21.7 | 3 |
| HepG2 CHEMBL395 | IC50 | 5.66 | 5.66 | 2173.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 21.73 | nM | 7.66 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 aft... | 23815186 |
| Plasmodium falciparum | IC50 | = | 31.94 | nM | 7.5 | Antimalarial activity against multi drug resistant Plasmodium falciparum TM91C23... | 23815186 |
| Plasmodium falciparum | IC50 | = | 48.44 | nM | 7.32 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... | 23815186 |
| HepG2 | IC50 | = | 2173.0 | nM | 5.66 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 23815186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23815186 | 10.1021/jm4006077 | Unchecked | 3 |
| 23815186 | 10.1021/jm4006077 | Plasmodium falciparum | 3 |
| 23815186 | 10.1021/jm4006077 | HepG2 | 1 |
| 23815186 | 10.1021/jm4006077 | Botulinum neurotoxin type A | 1 |
Data from ChEMBL 36 via Core Engine