Compound Detail
CHEMBL1927689
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Basic Information
| ChEMBL ID | CHEMBL1927689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHHDQUSAFGYWJX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1962818 |
| Active Moiety | CHEMBL1962818 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.1
MW (Da)
5.36
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.95 | 6.925 | 112.0 | 2 |
| NIH3T3 CHEMBL614822 | IC50 | 5.59 | 5.59 | 2585.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 112.0 | nM | 6.95 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2mef ... | 22055713 |
| Plasmodium falciparum | IC50 | = | 127.0 | nM | 6.9 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 in... | 22055713 |
| NIH3T3 | IC50 | = | 2585.0 | nM | 5.59 | Cytotoxicity against mouse 3T3 cells after 48 hrs by MTT assay | 22055713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22055713 | 10.1016/j.bmc.2011.10.037 | Plasmodium falciparum | 2 |
| 22055713 | 10.1016/j.bmc.2011.10.037 | Unchecked | 1 |
| 22055713 | 10.1016/j.bmc.2011.10.037 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine