Compound Detail
CHEMBL3669197
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
O=C(OCCOC(=O)c1cccc(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cccc(OC(=O)c2cc(O)c(O)c(O)c2)c1
Basic Information
| ChEMBL ID | CHEMBL3669197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUZABGZZFRZKPQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
606.5
MW (Da)
3.37
ALogP
14
HBA
6
HBD
226.6
PSA (Ų)
0.07
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen activator inhibitor 1 CHEMBL3475 | IC50 | 4.32 | 4.32 | 47900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen activator inhibitor 1 | IC50 | = | 47900.0 | nM | 4.32 | Fluorometric Plate Assay: To determine the efficacy of various synthesized PAI-1... | - |
Data from ChEMBL 36 via Core Engine