Compound Detail
CHEMBL4752340
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CCOC(=O)c1ccc(-c2ccnc3[nH]c(-c4cc(CN(CC)CC)ccc4OC)cc23)cc1C(C)C
Basic Information
| ChEMBL ID | CHEMBL4752340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWBXLDZOFXJECN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
499.7
MW (Da)
7.05
ALogP
5
HBA
1
HBD
67.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.41 | 6.405 | 390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 390.0 | nM | 6.41 | Inhibition of recombinant full-length Plasmodium falciparum 3D7 CLK3 using ULigh... | 32787140 |
| Unchecked | IC50 | = | 398.11 | nM | 6.4 | Inhibition of recombinant full-length Plasmodium falciparum 3D7 CLK3 using ULigh... | 32787140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787140 | 10.1021/acs.jmedchem.0c00451 | Unchecked | 2 |
| 32787140 | 10.1021/acs.jmedchem.0c00451 | Plasmodium falciparum | 2 |
| 32787140 | 10.1021/acs.jmedchem.0c00451 | No relevant target | 1 |
| 32787140 | 10.1021/acs.jmedchem.0c00451 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine