Compound Detail
CHEMBL4879051
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Basic Information
| ChEMBL ID | CHEMBL4879051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGXNAIPUFMKZPR-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
474.9
MW (Da)
6.32
ALogP
5
HBA
3
HBD
62.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.96 | 6.6267 | 110.0 | 3 |
| Hemozoin CHEMBL613898 | IC50 | 4.48 | 4.48 | 33100.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.47 | 4.47 | 33810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 110.0 | nM | 6.96 | Antimalarial activity against asexual blood stage multi drug-resistant Plasmodiu... | 33844521 |
| Plasmodium falciparum | IC50 | = | 280.0 | nM | 6.55 | Antimalarial activity against asexual blood stage drug-sensitive Plasmodium falc... | 33844521 |
| Plasmodium falciparum | IC50 | = | 430.0 | nM | 6.37 | Antiplasmodial activity against asexual stage (I/III) Plasmodium falciparum NF54... | 33844521 |
| Hemozoin | IC50 | = | 33100.0 | nM | 4.48 | Inhibition of beta-hematin formation at 20 mM incubated for 5 hrs by NP40 deterg... | 33844521 |
| CHO | IC50 | = | 33810.0 | nM | 4.47 | 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 | 8 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | ADMET | 5 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | Hemozoin | 2 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | Unchecked | 1 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | CHO | 1 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | No relevant target | 1 |
| 33844521 | 10.1021/acs.jmedchem.1c00354 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine