Compound Detail
CHEMBL4128913
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Basic Information
| ChEMBL ID | CHEMBL4128913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUBKPZFOGIZODC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.86
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.38 | 4.38 | 41800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 41800.0 | nM | 4.38 | Antiproliferative activity against human A549 cells after 48 hrs by MTT assay | 28648953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28648953 | 10.1016/j.ejmech.2017.06.025 | PC-3 | 1 |
| 28648953 | 10.1016/j.ejmech.2017.06.025 | DU-145 | 1 |
| 28648953 | 10.1016/j.ejmech.2017.06.025 | A549 | 1 |
| 28648953 | 10.1016/j.ejmech.2017.06.025 | HCT-15 | 1 |
Data from ChEMBL 36 via Core Engine