Compound Detail
CHEMBL4799910
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CCN(CC)Cc1ccc(OC)c(-c2cc3c(-c4ccc(C(C)C)c(C(=O)O)c4)ccnc3[nH]2)c1
Basic Information
| ChEMBL ID | CHEMBL4799910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STVHYLYEXYZGDZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
6.57
ALogP
4
HBA
2
HBD
78.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.86 | 5.38 | 1385.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1385.0 | nM | 5.86 | Inhibition of recombinant full-length Plasmodium falciparum 3D7 CLK3 using ULigh... | 32787140 |
| Unchecked | IC50 | = | 12589.25 | nM | 4.9 | 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