Compound Detail
CHEMBL2402910
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Basic Information
| ChEMBL ID | CHEMBL2402910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZVLGZZDQRTKFL-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
404.7
MW (Da)
5.24
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.4 | 8.216 | 4.0 | 5 |
| HepG2 CHEMBL395 | IC50 | 5.31 | 5.31 | 4946.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 3.95 | nM | 8.4 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D6 aft... | 23815186 |
| Plasmodium falciparum | IC50 | = | 5.93 | nM | 8.23 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 aft... | 23815186 |
| Plasmodium falciparum | IC50 | = | 6.18 | nM | 8.21 | Antimalarial activity against multi drug resistant Plasmodium falciparum TM91C23... | 23815186 |
| Plasmodium falciparum | IC50 | = | 7.16 | nM | 8.14 | Antimalarial activity against multidrug-resistant Plasmodium falciparum TM90C2A ... | 23815186 |
| Plasmodium falciparum | IC50 | = | 7.91 | nM | 8.1 | Antimalarial activity against multidrug-resistant Plasmodium falciparum TM90C2B ... | 23815186 |
| HepG2 | IC50 | = | 4946.0 | nM | 5.31 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 23815186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23815186 | 10.1021/jm4006077 | Plasmodium falciparum | 15 |
| 23815186 | 10.1021/jm4006077 | Unchecked | 3 |
| 23815186 | 10.1021/jm4006077 | Liver | 1 |
| 23815186 | 10.1021/jm4006077 | Liver microsomes | 1 |
| 23815186 | 10.1021/jm4006077 | HepG2 | 1 |
| 23815186 | 10.1021/jm4006077 | Botulinum neurotoxin type A | 1 |
Data from ChEMBL 36 via Core Engine