Compound Detail
CHEMBL4101637
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Basic Information
| ChEMBL ID | CHEMBL4101637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBPHOFQORIDWJH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.17
ALogP
6
HBA
2
HBD
56.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.38 | 7.145 | 42.0 | 2 |
| HepG2 CHEMBL395 | EC50 | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 42.0 | nM | 7.38 | Antimalarial activity against Plasmodium falciparum 3D7 asexual blood stage infe... | 28080063 |
| Plasmodium falciparum | EC50 | = | 122.0 | nM | 6.91 | Antimalarial activity against chloroquine and mefloquine resistant Plasmodium fa... | 28080063 |
| HepG2 | EC50 | = | 15300.0 | nM | 4.82 | Cytotoxicity against human HepG2 cells assessed as growth inhibition after 48 hr... | 28080063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28080063 | 10.1021/acs.jmedchem.6b01673 | Plasmodium falciparum | 2 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | HepG2 | 1 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine