Compound Detail
CHEMBL5618705
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Basic Information
| ChEMBL ID | CHEMBL5618705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPLYAOZWLRLLJX-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
465.9
MW (Da)
4.47
ALogP
6
HBA
4
HBD
116.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 1490.0 | nM | 5.83 | Inhibition of HDAC6 (unknown origin) | 37875056 |
| HCT-116 | IC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human HCT-116 cells | 37875056 |
| A549 | IC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human A549 cells | 37875056 |
| MDA-MB-231 | IC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human MDA-MB-231 cells | 37875056 |
| MCF7 | IC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human MCF7 cells | 37875056 |
| HL-60 | IC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human HL-60 cells | 37875056 |
| A-375 | IC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human A-375 cells | 37875056 |
| SGC-7901 | IC50 | = | 2200.0 | nM | 5.66 | Antiproliferative activity against human SGC-7901 cells | 37875056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37875056 | 10.1016/j.ejmech.2023.115879 | HCT-116 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | Histone deacetylase 6 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | A549 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | MDA-MB-231 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | MCF7 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | HL-60 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | A-375 | 1 |
| 37875056 | 10.1016/j.ejmech.2023.115879 | SGC-7901 | 1 |
Data from ChEMBL 36 via Core Engine