Compound Detail
CHEMBL4469552
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
Basic Information
| ChEMBL ID | CHEMBL4469552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHYYXYBDKWKIGP-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
482.9
MW (Da)
5.00
ALogP
7
HBA
1
HBD
87.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.7 | 7.7 | 19.8 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.62 | 6.135 | 240.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 19.82 | nM | 7.7 | Inhibition of human VEGFR-2 by ELISA | 37501287 |
| MCF7 | IC50 | = | 170.0 | nM | 6.77 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 31536891 |
| HepG2 | IC50 | = | 240.0 | nM | 6.62 | Cytotoxicity against human HepG2 cells by MTT assay | 37501287 |
| HL-60 | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human HL60 cells assessed as cell growth inhi... | 31536891 |
| HepG2 | IC50 | = | 2230.0 | nM | 5.65 | Antiproliferative activity against human HepG2 cells assessed as cell growth inh... | 31536891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31536891 | 10.1016/j.ejmech.2019.111697 | MCF7 | 1 |
| 31536891 | 10.1016/j.ejmech.2019.111697 | HL-60 | 1 |
| 31536891 | 10.1016/j.ejmech.2019.111697 | HepG2 | 1 |
| 37501287 | 10.1021/acs.jmedchem.3c00721 | HepG2 | 1 |
| 37501287 | 10.1021/acs.jmedchem.3c00721 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine