Compound Detail
CHEMBL4650593
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Basic Information
| ChEMBL ID | CHEMBL4650593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLDYISMFCJKSRS-BGPJRJDNSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
214.2
MW (Da)
-1.72
ALogP
6
HBA
4
HBD
115.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.92 | 7.92 | 12.0 | 2 |
| Heparanase CHEMBL3921 | IC50 | 4.3 | 4.3 | 50100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 12.0 | nM | 7.92 | Binding affinity to bovine liver beta-glucuronidase | 36368497 |
| Unchecked | Ki | = | 12.0 | nM | 7.92 | Inhibition of bovine liver beta-glucuronidase | 37660465 |
| Heparanase | IC50 | = | 50100.0 | nM | 4.3 | Inhibition of Heparanase-1 (unknown origin) by HTRF method | 36368497 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36368497 | 10.1016/j.bmcl.2022.129050 | Heparanase | 1 |
| 36368497 | 10.1016/j.bmcl.2022.129050 | Unchecked | 1 |
| 37660465 | 10.1016/j.bmc.2023.117460 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine