Compound Detail
CHEMBL3234077
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Basic Information
| ChEMBL ID | CHEMBL3234077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSACSHRAXKODHQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
4.49
ALogP
5
HBA
0
HBD
64.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.34 | 7.23 | 46.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 46.0 | nM | 7.34 | Antiplasmodial activity against multidrug resistant Plasmodium falciparum K1 inf... | 26502160 |
| Plasmodium falciparum | IC50 | = | 55.0 | nM | 7.26 | Antimalarial activity against multidrug-resistant Plasmodium falciparum K1 | 24568587 |
| Plasmodium falciparum | IC50 | = | 60.0 | nM | 7.22 | Antiplasmodial activity against drug sensitive Plasmodium falciparum NF54 infect... | 26502160 |
| Plasmodium falciparum | IC50 | = | 79.0 | nM | 7.1 | Antimalarial activity against drug-sensitive Plasmodium falciparum NF54 | 24568587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26502160 | 10.1021/acs.jmedchem.5b01605 | Plasmodium berghei | 7 |
| 24568587 | 10.1021/jm500098s | Plasmodium falciparum | 2 |
| 26502160 | 10.1021/acs.jmedchem.5b01605 | Plasmodium falciparum | 2 |
| 26502160 | 10.1021/acs.jmedchem.5b01605 | Liver microsome | 2 |
| 24568587 | 10.1021/jm500098s | No relevant target | 1 |
| 26502160 | 10.1021/acs.jmedchem.5b01605 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine