Compound Detail
CHEMBL4846549
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Basic Information
| ChEMBL ID | CHEMBL4846549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMTCTQWDPOPTQJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
5.51
ALogP
5
HBA
2
HBD
53.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.19 | 6.04 | 640.0 | 2 |
| CHO CHEMBL613853 | IC50 | 4.34 | 4.34 | 45790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 640.0 | nM | 6.19 | Antimalarial activity against asexual blood stage drug-sensitive Plasmodium falc... | 33844521 |
| Plasmodium falciparum | IC50 | = | 1280.0 | nM | 5.89 | Antimalarial activity against asexual blood stage multi drug-resistant Plasmodiu... | 33844521 |
| CHO | IC50 | = | 45790.0 | nM | 4.34 | Cytotoxicity against CHO cells assessed as inhibition of cell viability by MTT a... | 33844521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33844521 | 10.1021/acs.jmedchem.1c00354 | Plasmodium falciparum | 6 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | Unchecked | 1 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | CHO | 1 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine