Compound Detail
CHEMBL4093807
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Basic Information
| ChEMBL ID | CHEMBL4093807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUDBXMUUOKBVSL-BBYAVRKXSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
4.47
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 5.46 | 5.46 | 3510.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.87 | 4.87 | 13620.0 | 1 |
| 4T1 CHEMBL612589 | IC50 | 4.67 | 4.67 | 21550.0 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 4.62 | 4.62 | 24010.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.5 | 4.5 | 32010.0 | 1 |
| BT-549 CHEMBL614072 | IC50 | 4.5 | 4.5 | 31400.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.35 | 4.35 | 45120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 3510.0 | nM | 5.46 | Antiproliferative activity against human PC3 cells after 48 hrs by MTT assay | 28038323 |
| DU-145 | IC50 | = | 13620.0 | nM | 4.87 | Antiproliferative activity against human DU145 cells after 48 hrs by MTT assay | 28038323 |
| 4T1 | IC50 | = | 21550.0 | nM | 4.67 | Antiproliferative activity against mouse 4T1 cells after 48 hrs by MTT assay | 28038323 |
| HGC-27 | IC50 | = | 24010.0 | nM | 4.62 | Antiproliferative activity against human HGC27 cells after 48 hrs by MTT assay | 28038323 |
| MDA-MB-231 | IC50 | = | 32010.0 | nM | 4.5 | Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by MTT as... | 28038323 |
| BT-549 | IC50 | = | 31400.0 | nM | 4.5 | Antiproliferative activity against human BT549 cells after 48 hrs by MTT assay | 28038323 |
| A549 | IC50 | = | 45120.0 | nM | 4.35 | Antiproliferative activity against human A549 cells after 48 hrs by MTT assay | 28038323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28038323 | 10.1016/j.ejmech.2016.12.043 | A549 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | MDA-MB-231 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | BT-549 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | 4T1 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | PC-3 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | DU-145 | 1 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | HGC-27 | 1 |
Data from ChEMBL 36 via Core Engine