Compound Detail
CHEMBL599742
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
Basic Information
| ChEMBL ID | CHEMBL599742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KULDNHPCSUYZFZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
460.5
MW (Da)
1.23
ALogP
8
HBA
4
HBD
155.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen activator inhibitor 1 CHEMBL3475 | IC50 | 5.03 | 5.01 | 9320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen activator inhibitor 1 | IC50 | = | 9320.0 | nM | 5.03 | Inhibition of human recombinant PAI1 assessed as rate of AMC release after 30 mi... | 20056540 |
| Plasminogen activator inhibitor 1 | IC50 | = | 10200.0 | nM | 4.99 | Fluorometric Plate Assay: To determine the efficacy of various synthesized PAI-1... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20056540 | 10.1016/j.bmcl.2009.12.051 | Antithrombin-III | 2 |
| 20056540 | 10.1016/j.bmcl.2009.12.051 | Plasminogen activator inhibitor 1 | 1 |
Data from ChEMBL 36 via Core Engine