Compound Detail
CHEMBL3809699
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Basic Information
| ChEMBL ID | CHEMBL3809699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEXOTOJJEIBRDN-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.42
ALogP
5
HBA
2
HBD
59.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.81
IC50 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.81 | 6.81 | 155.0 | 1 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 5.65 | 5.65 | 2250.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 4.58 | 4.58 | 26100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 155.0 | nM | 6.81 | Antimalarial activity against Plasmodium falciparum 3D7 asexual blood stage infe... | 28080063 |
| Tyrosine-protein kinase Mer | IC50 | = | 2250.0 | nM | 5.65 | Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ... | 27238842 |
| HepG2 | EC50 | = | 26100.0 | nM | 4.58 | Cytotoxicity against human HepG2 cells assessed as growth inhibition after 48 hr... | 28080063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27238842 | 10.1016/j.bmc.2016.05.025 | NON-PROTEIN TARGET | 2 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | No relevant target | 2 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | Tyrosine-protein kinase Mer | 1 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | A549 | 1 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | KB | 1 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | MV4-11 | 1 |
| 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