Compound Detail
CHEMBL4284722
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Basic Information
| ChEMBL ID | CHEMBL4284722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNCQJVDCVKPQFI-OALUTQOASA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
2.02
ALogP
7
HBA
2
HBD
106.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW48 CHEMBL614055 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| HeLa CHEMBL399 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SW48 | IC50 | = | 14.0 | nM | 7.85 | Antiproliferative activity against human SW48 cells after 72 hrs by MTT assay | 30108973 |
| SK-OV-3 | IC50 | = | 32.0 | nM | 7.5 | Antiproliferative activity against human SKOV3 cells after 48 hrs by MTT assay | 29306206 |
| A2780 | IC50 | = | 33.0 | nM | 7.48 | Antiproliferative activity against human A2780 cells after 48 hrs by MTT assay | 29306206 |
| HeLa | IC50 | = | 35.0 | nM | 7.46 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 29306206 |
| MDA-MB-231 | IC50 | = | 47.0 | nM | 7.33 | Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by MTT as... | 29306206 |
| Unchecked | IC50 | = | 5050.0 | nM | 5.3 | Inhibition of porcine brain tubulin polymerization measured for 15 mins by spect... | 30108973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29306206 | 10.1016/j.ejmech.2017.12.004 | A2780 | 1 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | MDA-MB-231 | 1 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | SK-OV-3 | 1 |
| 29306206 | 10.1016/j.ejmech.2017.12.004 | HeLa | 1 |
| 30108973 | 10.1039/C8MD00147B | Unchecked | 1 |
| 30108973 | 10.1039/C8MD00147B | SW48 | 1 |
Data from ChEMBL 36 via Core Engine