Compound Detail
CHEMBL4554378
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Basic Information
| ChEMBL ID | CHEMBL4554378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGZHMYSDNYWYNV-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4596988 |
| Active Moiety | CHEMBL4596988 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
2.99
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.68 | 7.21 | 20.8 | 2 |
| CHO-K1 CHEMBL614031 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 20.8 | nM | 7.68 | Antimalarial activity against asexual stage of Plasmodium falciparum Dd2 infecte... | 31938463 |
| Plasmodium falciparum | IC50 | = | 182.0 | nM | 6.74 | Antimalarial activity against asexual stage of Plasmodium falciparum 3D7 infecte... | 31938463 |
| CHO-K1 | IC50 | = | 10100.0 | nM | 5.0 | Cytotoxicity against CHOK1 cells assessed as reduction in cell viability incubat... | 31938463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31938463 | 10.1021/acsmedchemlett.9b00457 | Plasmodium falciparum | 2 |
| 31938463 | 10.1021/acsmedchemlett.9b00457 | CHO-K1 | 1 |
| 34706190 | 10.1021/acs.jmedchem.1c01383 | Mycobacterium tuberculosis variant bovis BCG | 1 |
Data from ChEMBL 36 via Core Engine