Compound Detail
CHEMBL346525
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Basic Information
| ChEMBL ID | CHEMBL346525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOOZJYFJUZJPAV-BQYQJAHWSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
1.53
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.43 | 6.43 | 370.0 | 2 |
| SK-BR-3 CHEMBL613834 | IC50 | 5.89 | 5.89 | 1280.0 | 2 |
| A549 CHEMBL392 | IC50 | 5.54 | 5.54 | 2890.0 | 2 |
| MKN-45 CHEMBL614354 | IC50 | 5.3 | 5.3 | 4980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 370.97 | nM | 6.43 | Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastri... | 14667227 |
| Histone deacetylase | IC50 | = | 370.0 | nM | 6.43 | Inhibition of HDAC from human SNU16 cells | 18247554 |
| SK-BR-3 | IC50 | = | 1280.0 | nM | 5.89 | Compound was tested for antiproliferative activity against human SK-BR-3 cancer ... | 14667227 |
| SK-BR-3 | IC50 | = | 1280.0 | nM | 5.89 | Antiproliferative activity against human SKBR3 cells | 18247554 |
| A549 | IC50 | = | 2890.0 | nM | 5.54 | Compound was tested for antiproliferative activity against human A549 cancer cel... | 14667227 |
| A549 | IC50 | = | 2890.0 | nM | 5.54 | Antiproliferative activity against human A549 cells | 18247554 |
| MKN-45 | IC50 | = | 4980.0 | nM | 5.3 | Compound was tested for antiproliferative activity against human MKN45 cancer ce... | 14667227 |
| MKN-45 | IC50 | = | 4980.0 | nM | 5.3 | Antiproliferative activity against human MKN45 cells | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667227 | 10.1021/jm030377q | A549 | 1 |
| 14667227 | 10.1021/jm030377q | SK-BR-3 | 1 |
| 14667227 | 10.1021/jm030377q | MKN-45 | 1 |
| 14667227 | 10.1021/jm030377q | Histone deacetylase | 1 |
| 18247554 | 10.1021/jm7011408 | A549 | 1 |
| 18247554 | 10.1021/jm7011408 | MKN-45 | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase | 1 |
| 18247554 | 10.1021/jm7011408 | SK-BR-3 | 1 |
Data from ChEMBL 36 via Core Engine