Compound Detail
CHEMBL3104835
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Basic Information
| ChEMBL ID | CHEMBL3104835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIPNHNDOJJFCEG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.66
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-MEL-28 CHEMBL614919 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-MEL-28 | IC50 | = | 29000.0 | nM | 4.54 | Growth inhibition of human SK-MEL-28 cells by MTT assay | 24374273 |
| LoVo | IC50 | = | 32000.0 | nM | 4.5 | Growth inhibition of human LoVo cells by MTT assay | 24374273 |
| A549 | IC50 | = | 33000.0 | nM | 4.48 | Growth inhibition of human A549 cells by MTT assay | 24374273 |
| PC-3 | IC50 | = | 38000.0 | nM | 4.42 | Growth inhibition of human PC3 cells by MTT assay | 24374273 |
| NON-PROTEIN TARGET | IC50 | = | 41000.0 | nM | 4.39 | Growth inhibition of human Hs683 cells by MTT assay | 24374273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24374273 | 10.1016/j.bmcl.2013.12.049 | NON-PROTEIN TARGET | 2 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | LoVo | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | PC-3 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | SK-MEL-28 | 1 |
| 24374273 | 10.1016/j.bmcl.2013.12.049 | A549 | 1 |
Data from ChEMBL 36 via Core Engine