Compound Detail
CHEMBL1774602
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Basic Information
| ChEMBL ID | CHEMBL1774602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYMZDQBBPCQOBK-XBXARRHUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.31
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.28 | 5.21 | 5300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability af... | 26690274 |
| Plasmodium falciparum | IC50 | = | 5300.0 | nM | 5.28 | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... | 21500839 |
| Plasmodium falciparum | IC50 | = | 7300.0 | nM | 5.14 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum Dd2 ... | 21500839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21500839 | 10.1021/jm200149e | Plasmodium falciparum | 4 |
| 21500839 | 10.1021/jm200149e | Unchecked | 2 |
| 26690274 | 10.1021/acs.jnatprod.5b00774 | MCF7 | 1 |
| 26690274 | 10.1021/acs.jnatprod.5b00774 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine