Compound Detail
CHEMBL4279235
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(C)cc(Cn2cc(/C=C3\CC[C@@H]4[C@H]5CCCN6CCC[C@H](CN4C3=O)[C@@H]56)c3ccccc32)c1
Basic Information
| ChEMBL ID | CHEMBL4279235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHMRYVSSYWSZJP-COAPAAHTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.7
MW (Da)
6.19
ALogP
3
HBA
0
HBD
28.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 5.34 | 5.34 | 4560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 4560.0 | nM | 5.34 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | 30125725 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30125725 | 10.1016/j.ejmech.2018.08.021 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine