Compound Detail
CHEMBL3337645
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Basic Information
| ChEMBL ID | CHEMBL3337645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFILXTQNTZUBMS-LCIJNYEZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
3.46
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.96 | 4.68 | 11000.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 11000.0 | nM | 4.96 | Antiproliferative activity against human HL60 cells after 24 hrs by Alamar blue ... | 25172146 |
| HepG2 | IC50 | = | 31000.0 | nM | 4.51 | Antiproliferative activity against human HepG2 cells after 24 hrs by Alamar blue... | 25172146 |
| NON-PROTEIN TARGET | IC50 | = | 40000.0 | nM | 4.4 | Antiproliferative activity against rat PC12 cells after 24 hrs by Alamar blue as... | 25172146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25172146 | 10.1016/j.bmc.2014.07.024 | NON-PROTEIN TARGET | 2 |
| 25172146 | 10.1016/j.bmc.2014.07.024 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine