Compound Detail
CHEMBL4866446
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)c1ccc(C(=O)N(Cc2ccc(C(=O)NO)cc2)C(C)(C)C(=O)NCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4866446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNMMNZOLEVDAAD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
3.61
ALogP
5
HBA
3
HBD
102.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.79 | 6.79 | 161.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Plasmodium berghei CHEMBL612653 | IC50 | 5.37 | 5.37 | 4270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of N-terminal GST-tagged full length human recombinant HDAC6 expresse... | 33360801 |
| Plasmodium falciparum | IC50 | = | 161.0 | nM | 6.79 | Antiplasmodial activity against drug-sensitive asexual intraerythrocytic stage o... | 33360801 |
| Histone deacetylase 1 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of C-terminal FLAG/His-tagged human recombinant HDAC1 (1 to 482 resid... | 33360801 |
| Plasmodium berghei | IC50 | = | 4270.0 | nM | 5.37 | Antiplasmodial activity against liver stage exo-erythrocytic forms of Plasmodium... | 33360801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33360801 | 10.1016/j.ejmech.2020.113065 | ADMET | 2 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Histone deacetylase 1 | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Plasmodium falciparum | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | HepG2 | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Histone deacetylase 6 | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Unchecked | 1 |
| 33360801 | 10.1016/j.ejmech.2020.113065 | Plasmodium berghei | 1 |
Data from ChEMBL 36 via Core Engine