Compound Detail
CHEMBL3943805
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Basic Information
| ChEMBL ID | CHEMBL3943805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUPRIZQEEWLCRD-RUDMXATFSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.9
MW (Da)
5.15
ALogP
8
HBA
3
HBD
114.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.0 | 6.0 | 1000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of HDAC in human HeLa nuclear extract using Fluor de Lys as substrate... | - |
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human BxPC3 cells assessed as growth inhibition by measurin... | - |
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against HPAC cells assessed as growth inhibition by measuring ATP l... | - |
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human MIAPaCa2 cells assessed as growth inhibition by measu... | - |
| NON-PROTEIN TARGET | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human PANC1 cells assessed as growth inhibition by measurin... | - |
Data from ChEMBL 36 via Core Engine