Compound Detail
CHEMBL2402778
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Basic Information
| ChEMBL ID | CHEMBL2402778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGRXFQKUXYIKNE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
3.48
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.22 | 6.78 | 60.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 60.7 | nM | 7.22 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 aft... | 23815186 |
| Plasmodium falciparum | IC50 | = | 204.11 | nM | 6.69 | Antimalarial activity against multi drug resistant Plasmodium falciparum TM91C23... | 23815186 |
| Plasmodium falciparum | IC50 | = | 375.05 | nM | 6.43 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... | 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