Compound Detail
CHEMBL601604
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Basic Information
| ChEMBL ID | CHEMBL601604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUTYIBZJFUUPAA-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
557.3
MW (Da)
5.50
ALogP
4
HBA
1
HBD
31.6
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.57
EC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.57 | 7.295 | 27.0 | 2 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.24 | 6.885 | 57.3 | 2 |
| L6 CHEMBL614793 | IC50 | 5.43 | 5.43 | 3673.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 27.0 | nM | 7.57 | Antimalarial activity against Plasmodium falciparum K1 infected in human RBC aft... | 24900603 |
| Plasmodium falciparum | EC50 | = | 57.3 | nM | 7.24 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | IC50 | = | 95.0 | nM | 7.02 | Antimalarial activity against Plasmodium falciparum NF54 infected in human eryth... | 27312008 |
| Plasmodium falciparum | EC50 | = | 295.6 | nM | 6.53 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| L6 | IC50 | = | 3673.0 | nM | 5.43 | Cytotoxicity against rat L6 cells after 72 hrs by alamar blue assay | 27312008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
| 24900603 | 10.1021/ml400015f | Plasmodium falciparum | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | HSP90 | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | L6 | 1 |
| 27312008 | 10.1021/acs.jmedchem.6b00591 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine