Compound Detail
CHEMBL578491
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Basic Information
| ChEMBL ID | CHEMBL578491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPNCMLPRXMCLPW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
5.03
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.03 | 6.025 | 941.0 | 2 |
| Schistosoma mansoni CHEMBL612893 | EC50 | 5.87 | 5.795 | 1350.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 941.0 | nM | 6.03 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Plasmodium falciparum | EC50 | = | 955.0 | nM | 6.02 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Schistosoma mansoni | EC50 | = | 1350.0 | nM | 5.87 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican schistosomula... | 34536671 |
| Schistosoma mansoni | EC50 | = | 1890.0 | nM | 5.72 | Antischistosomal activity against Schistosoma mansoni Puerto-Rican schistosomula... | 34536671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34536671 | 10.1016/j.ejmech.2021.113823 | Schistosoma mansoni | 5 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 34536671 | 10.1016/j.ejmech.2021.113823 | HepG2 | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 26264842 | 10.1016/j.bmc.2015.07.074 | Soluble guanylate cyclase | 1 |
Data from ChEMBL 36 via Core Engine