Compound Detail
CHEMBL5813858
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
CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@@H](O)C(F)(F)[C@H]2F
Basic Information
| ChEMBL ID | CHEMBL5813858 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEUWSUWCOJCFQV-KZKVIATDSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
4.12
ALogP
6
HBA
1
HBD
106.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.85
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor A, long form CHEMBL1783 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor A, long form | EC50 | = | 14.0 | nM | 7.85 | ELISA Assay: VEGF: Four hours later, serial dilutions of 10x compound stocks wer... | - |
| Endothelial PAS domain-containing protein 1 | IC50 | = | 32.0 | nM | 7.5 | Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... | - |
Data from ChEMBL 36 via Core Engine