Compound Detail
CHEMBL2402791
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2402791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIFRUKSARYDDKZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.8
MW (Da)
4.23
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.58 | 7.3933 | 26.4 | 3 |
| HepG2 CHEMBL395 | IC50 | 4.79 | 4.79 | 16046.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 26.38 | nM | 7.58 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 aft... | 23815186 |
| Plasmodium falciparum | IC50 | = | 45.78 | nM | 7.34 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... | 23815186 |
| Plasmodium falciparum | IC50 | = | 55.18 | nM | 7.26 | Antimalarial activity against multi drug resistant Plasmodium falciparum TM91C23... | 23815186 |
| HepG2 | IC50 | = | 16046.0 | nM | 4.79 | 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