Compound Detail
CHEMBL5207890
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5207890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRZOGXWZSILOQM-GFCCVEGCSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
5.24
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.07 | 7.89 | 8.6 | 4 |
| HepG2 CHEMBL395 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.45 | 4.45 | 35600.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.4 | 4.4 | 39500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 8.55 | nM | 8.07 | Antiplasmodial activity against CQ-resistant Plasmodium falciparum W2 assessed a... | 34782182 |
| Plasmodium falciparum | IC50 | = | 11.4 | nM | 7.94 | Antiplasmodial activity against CQ-susceptible Plasmodium falciparum 3D7 assesse... | 34782182 |
| Plasmodium falciparum | IC50 | = | 15.4 | nM | 7.81 | Antiplasmodial activity against CQ-susceptible Plasmodium falciparum 3D7 infecte... | 34782182 |
| Plasmodium falciparum | IC50 | = | 18.2 | nM | 7.74 | Antiplasmodial activity CQ-resistant Plasmodium falciparum W2 infected in human ... | 34782182 |
| HepG2 | IC50 | = | 7600.0 | nM | 5.12 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability i... | 34782182 |
| HFF | IC50 | = | 35600.0 | nM | 4.45 | Cytotoxicity against human HFF cells assessed as reduction in cell viability inc... | 34782182 |
| CHO | IC50 | = | 39500.0 | nM | 4.4 | Cytotoxicity against Chinese hamster CHO cells assessed as reduction in cell via... | 34782182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34782182 | 10.1016/j.ejmech.2021.113981 | Plasmodium falciparum | 4 |
| 34782182 | 10.1016/j.ejmech.2021.113981 | ADMET | 4 |
| 34782182 | 10.1016/j.ejmech.2021.113981 | Unchecked | 2 |
| 34782182 | 10.1016/j.ejmech.2021.113981 | HepG2 | 1 |
| 34782182 | 10.1016/j.ejmech.2021.113981 | CHO | 1 |
| 34782182 | 10.1016/j.ejmech.2021.113981 | THP-1 | 1 |
| 34782182 | 10.1016/j.ejmech.2021.113981 | HFF | 1 |
Data from ChEMBL 36 via Core Engine