Compound Detail
CHEMBL490260
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Basic Information
| ChEMBL ID | CHEMBL490260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIBXRQYQBDTBCT-USRGLUTNSA-N |
| Parent Compound | CHEMBL1187096 |
| Active Moiety | CHEMBL1187096 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
1.28
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 6.85 | 6.85 | 141.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.55 | 4.55 | 28400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 141.0 | nM | 6.85 | Inhibition of HDAC from human HeLa cells | 18672316 |
| HeLa | IC50 | = | 28400.0 | nM | 4.55 | Antiproliferative activity against human HeLa cells after 4 hrs by WST-1 assay | 18672316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18672316 | 10.1016/j.ejmech.2008.06.020 | Histone deacetylase | 1 |
| 18672316 | 10.1016/j.ejmech.2008.06.020 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine