Compound Detail
CHEMBL1090448
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Basic Information
| ChEMBL ID | CHEMBL1090448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWVMRDGGCRCTDL-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
2.36
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.53
Kd 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasminogen activator inhibitor 1 CHEMBL3475 | Kd | 7.29 | 7.29 | 51.0 | 1 |
| Plasminogen activator inhibitor 1 CHEMBL3475 | IC50 | 5.53 | 5.53 | 2960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasminogen activator inhibitor 1 | Kd | = | 51.0 | nM | 7.29 | Surface Plasmon Resonance (SPR) Assay: To establish binding constants for the co... | - |
| Plasminogen activator inhibitor 1 | IC50 | = | 2960.0 | nM | 5.53 | Fluorometric Plate Assay: To determine the efficacy of various synthesized PAI-1... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20194024 | 10.1016/j.bmcl.2010.02.027 | NCI-H1299 | 1 |
| 22559865 | 10.1021/jm2016045 | SK-BR-3 | 1 |
| 22559865 | 10.1021/jm2016045 | Fatty acid synthase | 1 |
Data from ChEMBL 36 via Core Engine