Compound Detail
CHEMBL4064206
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Basic Information
| ChEMBL ID | CHEMBL4064206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBQPREMRYPFOGP-PLWLMNJCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.1
MW (Da)
4.12
ALogP
5
HBA
2
HBD
75.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 1900.0 | nM | 5.72 | Cytotoxicity against human HepG2 cells assessed as cell growth inhibition after ... | 28743492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28743492 | 10.1016/j.bmc.2017.07.009 | HepG2 | 5 |
Data from ChEMBL 36 via Core Engine