Compound Detail
CHEMBL4075526
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Basic Information
| ChEMBL ID | CHEMBL4075526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INBBMHRLGGNVBT-IHJNGOQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
6.13
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BT-549 CHEMBL614072 | IC50 | 4.39 | 4.39 | 40360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BT-549 | IC50 | = | 40360.0 | nM | 4.39 | Antiproliferative activity against human BT549 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 |
| 28038323 | 10.1016/j.ejmech.2016.12.043 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine