Compound Detail
CHEMBL5629862
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Basic Information
| ChEMBL ID | CHEMBL5629862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMIOPZDDJYDBFW-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.65
ALogP
5
HBA
2
HBD
80.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| A549 CHEMBL392 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.96 | 6.96 | 111.0 | 1 |
| HFL1 CHEMBL612547 | IC50 | 6.58 | 6.58 | 264.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 26.0 | nM | 7.58 | Antiproliferative activity against human K562 cells incubated for 72 hrs by MTT ... | 37269670 |
| A2780 | IC50 | = | 36.0 | nM | 7.44 | Antiproliferative activity against human A2780 cells incubated for 72 hrs by MTT... | 37269670 |
| MCF7 | IC50 | = | 52.0 | nM | 7.28 | Antiproliferative activity against human MCF7 cells incubated for 72 hrs by MTT ... | 37269670 |
| A549 | IC50 | = | 69.0 | nM | 7.16 | Antiproliferative activity against human A549 cells incubated for 72 hrs by MTT ... | 37269670 |
| B16-F10 | IC50 | = | 98.0 | nM | 7.01 | Antiproliferative activity against mouse B16-F10 cells incubated for 72 hrs by M... | 37269670 |
| MDA-MB-231 | IC50 | = | 111.0 | nM | 6.96 | Antiproliferative activity against human MDA-MB-231 cells incubated for 72 hrs b... | 37269670 |
| HFL1 | IC50 | = | 264.0 | nM | 6.58 | Antiproliferative activity against human HFL1 cells incubated for 72 hrs by MTT ... | 37269670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37269670 | 10.1016/j.ejmech.2023.115529 | Histone deacetylase | 2 |
| 37269670 | 10.1016/j.ejmech.2023.115529 | K562 | 1 |
| 37269670 | 10.1016/j.ejmech.2023.115529 | MCF7 | 1 |
| 37269670 | 10.1016/j.ejmech.2023.115529 | MDA-MB-231 | 1 |
| 37269670 | 10.1016/j.ejmech.2023.115529 | A549 | 1 |
| 37269670 | 10.1016/j.ejmech.2023.115529 | B16-F10 | 1 |
| 37269670 | 10.1016/j.ejmech.2023.115529 | A2780 | 1 |
| 37269670 | 10.1016/j.ejmech.2023.115529 | HFL1 | 1 |
Data from ChEMBL 36 via Core Engine