Compound Detail
CHEMBL3322526
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Basic Information
| ChEMBL ID | CHEMBL3322526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCFNCUAAGWEUNO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
263.7
MW (Da)
2.91
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.33 | 4.27 | 46337.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 4.19 | 4.19 | 64462.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.09 | 4.09 | 81829.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 46337.0 | nM | 4.33 | Cytotoxicity against human MOLT3 cells after 48 hrs by MTT assay | 25019480 |
| NON-PROTEIN TARGET | IC50 | = | 61163.0 | nM | 4.21 | Cytotoxicity against human HuCCa1 cells after 48 hrs by MTT assay | 25019480 |
| HepG2 | IC50 | = | 64462.0 | nM | 4.19 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 25019480 |
| A549 | IC50 | = | 81829.0 | nM | 4.09 | Cytotoxicity against human A549 cells after 48 hrs by MTT assay | 25019480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25019480 | 10.1016/j.ejmech.2014.07.024 | NON-PROTEIN TARGET | 2 |
| 25019480 | 10.1016/j.ejmech.2014.07.024 | HepG2 | 2 |
| 25019480 | 10.1016/j.ejmech.2014.07.024 | A549 | 2 |
| 25019480 | 10.1016/j.ejmech.2014.07.024 | MRC5 | 1 |
| 25019480 | 10.1016/j.ejmech.2014.07.024 | Unchecked | 1 |
| 25019480 | 10.1016/j.ejmech.2014.07.024 | MOLT-3 | 1 |
| 33180495 | 10.1021/acs.jmedchem.0c00942 | Unchecked | 1 |
| 33180495 | 10.1021/acs.jmedchem.0c00942 | HepG2 | 1 |
| 33180495 | 10.1021/acs.jmedchem.0c00942 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine