Compound Detail
CHEMBL5186748
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
CNC(=O)c1cc(Oc2ccc(NC(=O)c3nn(-c4ccc(Cl)cc4)cc(C)c3=O)cc2)ccn1
Basic Information
| ChEMBL ID | CHEMBL5186748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBFOUTOUCBLYAU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.9
MW (Da)
3.99
ALogP
7
HBA
2
HBD
115.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.92 | 9.92 | 0.1 | 1 |
| A549 CHEMBL392 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 0.12 | nM | 9.92 | Inhibition of VEGFR2 (unknown origin) using ULight-4E-BP1 peptide as substrate i... | 33129590 |
| A549 | IC50 | = | 370.0 | nM | 6.43 | Antiproliferative activity against human A549 cells assessed as cell growth inhi... | 33129590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33129590 | 10.1016/j.ejmech.2020.112946 | A549 | 2 |
| 33129590 | 10.1016/j.ejmech.2020.112946 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine