Compound Detail
CHEMBL3943242
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Basic Information
| ChEMBL ID | CHEMBL3943242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOPPJRNKHOYNRJ-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.16
ALogP
7
HBA
4
HBD
129.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.0 | 6.62 | 100.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 5.0 | nM | 8.3 | Inhibition of HDAC (unknown origin) using Fluor-Lys as substrate | - |
| NON-PROTEIN TARGET | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against human PC3 cells | - |
| NON-PROTEIN TARGET | IC50 | = | 190.0 | nM | 6.72 | Antiproliferative activity against human SCC35 cells | - |
| NON-PROTEIN TARGET | IC50 | = | 200.0 | nM | 6.7 | Antiproliferative activity against human SQ20B cells | - |
| NON-PROTEIN TARGET | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human MCF7 cells | - |
| NON-PROTEIN TARGET | IC50 | = | 520.0 | nM | 6.28 | Antiproliferative activity against human DU145 cells | - |
Data from ChEMBL 36 via Core Engine