Compound Detail
CHEMBL152543
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
Basic Information
| ChEMBL ID | CHEMBL152543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKVNVKOVLBVYHQ-KPKJPENVSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.74
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-BR-3 CHEMBL613834 | IC50 | 6.96 | 6.96 | 110.0 | 2 |
| Histone deacetylase CHEMBL2093865 | IC50 | 6.69 | 6.69 | 205.0 | 2 |
| A549 CHEMBL392 | IC50 | 6.46 | 6.46 | 350.0 | 2 |
| MKN-45 CHEMBL614354 | IC50 | 6.1 | 6.1 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-BR-3 | IC50 | = | 110.0 | nM | 6.96 | Compound was tested for antiproliferative activity against human SK-BR-3 cancer ... | 14667227 |
| SK-BR-3 | IC50 | = | 110.0 | nM | 6.96 | Antiproliferative activity against human SKBR3 cells | 18247554 |
| Histone deacetylase | IC50 | = | 205.27 | nM | 6.69 | Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastri... | 14667227 |
| Histone deacetylase | IC50 | = | 205.0 | nM | 6.69 | Inhibition of HDAC from human SNU16 cells | 18247554 |
| A549 | IC50 | = | 350.0 | nM | 6.46 | Compound was tested for antiproliferative activity against human A549 cancer cel... | 14667227 |
| A549 | IC50 | = | 350.0 | nM | 6.46 | Antiproliferative activity against human A549 cells | 18247554 |
| MKN-45 | IC50 | = | 800.0 | nM | 6.1 | Compound was tested for antiproliferative activity against human MKN45 cancer ce... | 14667227 |
| MKN-45 | IC50 | = | 800.0 | nM | 6.1 | Antiproliferative activity against human MKN45 cells | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 9 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 8 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 7 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 6 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 5 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 4 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 3 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 2 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 1 | 1 |
| 14667227 | 10.1021/jm030377q | A549 | 1 |
| 18247554 | 10.1021/jm7011408 | SK-BR-3 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase | 1 |
| 18247554 | 10.1021/jm7011408 | MKN-45 | 1 |
| 18247554 | 10.1021/jm7011408 | A549 | 1 |
| 14667227 | 10.1021/jm030377q | Histone deacetylase | 1 |
| 14667227 | 10.1021/jm030377q | MKN-45 | 1 |
| 14667227 | 10.1021/jm030377q | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine