Compound Detail
CHEMBL5555499
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
COc1ccc(-n2c(SCC(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)nc3ccccc3c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5555499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LILKBHISWMICTA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
5.67
ALogP
7
HBA
2
HBD
101.9
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20600.0 | nM | 4.69 | Inhibition of VEGFR (unknown origin) | 38728867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38728867 | 10.1016/j.ejmech.2024.116472 | Serine/threonine-protein kinase B-raf | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine