Compound Detail
CHEMBL1198227
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Basic Information
| ChEMBL ID | CHEMBL1198227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLRNKMZSARWWTH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.8
MW (Da)
5.23
ALogP
5
HBA
2
HBD
63.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.87 | 6.87 | 134.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Son of sevenless homolog 1 CHEMBL2079846 | EC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 134.0 | nM | 6.87 | Antimalarial activity against Plasmodium falciparum 3D7 asexual blood stage infe... | 28080063 |
| HepG2 | EC50 | = | 5000.0 | nM | 5.3 | Cytotoxicity against human HepG2 cells assessed as growth inhibition after 48 hr... | 28080063 |
| Son of sevenless homolog 1 | EC50 | = | 9700.0 | nM | 5.01 | Activation of SOS1 in human HeLa cells assessed as increase in RAS-GTP levels af... | 30258545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30258545 | 10.1021/acsmedchemlett.8b00296 | Son of sevenless homolog 1 | 2 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | Plasmodium falciparum | 1 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | HepG2 | 1 |
| 28080063 | 10.1021/acs.jmedchem.6b01673 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine