Compound Detail
CHEMBL4765126
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Basic Information
| ChEMBL ID | CHEMBL4765126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POFOYAHYYLXZNT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
3.31
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.39 | 4.39 | 41000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.5 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 4.0 | nM | 8.4 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 27631715 |
| HepG2 | EC50 | = | 41000.0 | nM | 4.39 | Antiproliferative activity against human HepG2 cells assessed as reduction in ce... | 27631715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27631715 | 10.1021/acs.jmedchem.6b00723 | Plasmodium berghei | 4 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | ADMET | 2 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | Plasmodium falciparum | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | No relevant target | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine