Compound Detail
CHEMBL423184
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Basic Information
| ChEMBL ID | CHEMBL423184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXGGYCYYCOWYGB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.9
MW (Da)
5.20
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.64
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.62 | 7.0 | 24.0 | 2 |
| Histidine-rich protein PFHRP-II CHEMBL1923 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 150000.0 | M-1 | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 24.0 | nM | 7.62 | Parasite growth in chloroquine-sensitive Plasmodium falciparum NF54 | 10579825 |
| Plasmodium falciparum | IC50 | = | 420.0 | nM | 6.38 | Parasite growth in chloroquine-sensitive Plasmodium falciparum K1 | 10579825 |
| Histidine-rich protein PFHRP-II | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of hematin polymerization | 10579825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579825 | 10.1021/jm9902180 | Plasmodium falciparum | 2 |
| 10579825 | 10.1021/jm9902180 | ADMET | 1 |
| 10579825 | 10.1021/jm9902180 | Histidine-rich protein PFHRP-II | 1 |
Data from ChEMBL 36 via Core Engine