Compound Detail
CHEMBL3669191
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O=C(O[C@H]1CC[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)CC1)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL3669191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSQWCPNOPFFNHX-TXEJJXNPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
2.25
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen activator inhibitor 1 CHEMBL3475 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen activator inhibitor 1 | IC50 | = | 50.0 | nM | 7.3 | Fluorometric Plate Assay: To determine the efficacy of various synthesized PAI-1... | - |
Data from ChEMBL 36 via Core Engine