Compound Detail
CHEMBL3633691
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CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3ccc(NC(N)=O)c(-c4cccc5ccccc45)c3)nn2)c1
Basic Information
| ChEMBL ID | CHEMBL3633691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYRQMZXGASEEOK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
5.12
ALogP
8
HBA
3
HBD
141.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.55 | 4.55 | 27900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 27900.0 | nM | 4.55 | Cytotoxicity against human Mahlavu cells incubated for 72 hrs by SRB assay | 26344911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26344911 | 10.1016/j.ejmech.2015.08.012 | NON-PROTEIN TARGET | 2 |
| 26344911 | 10.1016/j.ejmech.2015.08.012 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine