Compound Detail
CHEMBL4082535
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Basic Information
| ChEMBL ID | CHEMBL4082535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUSWOAAUIQNLNH-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.92
ALogP
6
HBA
3
HBD
88.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.56
IC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.56 | 6.56 | 274.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.42 | 4.42 | 38300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 274.0 | nM | 6.56 | Antimalarial activity against Plasmodium falciparum 3D7 asexual blood stage infe... | 28080063 |
| HepG2 | EC50 | = | 38300.0 | nM | 4.42 | Cytotoxicity against human HepG2 cells assessed as growth inhibition after 48 hr... | 28080063 |
| Unchecked | IC50 | = | 45000.0 | nM | 4.35 | Induction of disruption of r(CCUG)12-MBNL1 complex (unknown origin) incubated fo... | 34101465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34101465 | 10.1021/acs.jmedchem.1c00414 | Unchecked | 3 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | Plasmodium falciparum | 1 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | HepG2 | 1 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | Unchecked | 1 |
| 34101465 | 10.1021/acs.jmedchem.1c00414 | Fibroblast | 1 |
Data from ChEMBL 36 via Core Engine