Compound Detail
CHEMBL4745218
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Basic Information
| ChEMBL ID | CHEMBL4745218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBCGQZLQBCOJCY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
5.00
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.92 | 6.6133 | 120.0 | 3 |
| MRC5 CHEMBL614181 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.6 | mL.min-1.g-1 | Mus musculus |
| CL | 8.6 | 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 | = | 120.0 | nM | 6.92 | Antimalarial activity against blood stage chloroquine-sensitive Plasmodium falci... | 35033884 |
| Plasmodium falciparum | EC50 | = | 350.0 | nM | 6.46 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 27631715 |
| Plasmodium falciparum | EC50 | = | 350.0 | nM | 6.46 | Antimalarial activity against Plasmodium falciparum 3D7 | 27775354 |
| MRC5 | EC50 | = | 50000.0 | nM | 4.3 | Antiproliferative activity against human MRC5 cells assessed as reduction in cel... | 27631715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27631715 | 10.1021/acs.jmedchem.6b00723 | Plasmodium falciparum | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | MRC5 | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | ADMET | 1 |
| 27631715 | 10.1021/acs.jmedchem.6b00723 | No relevant target | 1 |
| 27775354 | 10.1021/acs.jmedchem.6b01486 | ADMET | 1 |
| 27775354 | 10.1021/acs.jmedchem.6b01486 | No relevant target | 1 |
| 27775354 | 10.1021/acs.jmedchem.6b01486 | Plasmodium falciparum | 1 |
| 35033884 | 10.1016/j.bmc.2022.116614 | No relevant target | 1 |
| 35033884 | 10.1016/j.bmc.2022.116614 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine