Compound Detail
CHEMBL3637888
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Basic Information
| ChEMBL ID | CHEMBL3637888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWJSPLARDCGVLH-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
2
PK Parameters
20
Publications
0
Known Names
Molecular Properties
418.3
MW (Da)
5.62
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.92
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.92 | 6.92 | 120.0 | 2 |
| MRC5 CHEMBL614181 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 5.3 | mL.min-1.g-1 | Mus musculus |
| CL | 5.0 | 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 | IC50 | = | 100.0 | nM | 7.0 | Antimalarial activity: Asexual Blood Stage Plasmodium falciparum 3D7 IC50 (uM) | - |
| Plasmodium falciparum | EC50 | = | 120.0 | nM | 6.92 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 ... | 27631715 |
| Plasmodium falciparum | EC50 | = | 120.0 | nM | 6.92 | Antimalarial activity against Plasmodium falciparum 3D7 | 27775354 |
| MRC5 | EC50 | = | 21000.0 | nM | 4.68 | Antiproliferative activity against human MRC5 cells assessed as reduction in cel... | 27631715 |
Literature References
Data from ChEMBL 36 via Core Engine