Compound Detail
CHEMBL5532464
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
Cc1ncsc1-c1ccc2c(c1)CCCC[C@@H]2NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](n1cc(C2CC2)nn1)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL5532464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAVGSVXQQSNQFO-PWKYGKGFSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
576.8
MW (Da)
4.72
ALogP
8
HBA
2
HBD
113.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | Kd | 9.27 | 9.27 | 0.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.9 | mL.min-1.kg-1 | Mus musculus |
| F | 46.5 | % | Mus musculus |
| T1/2 | 2.3 | hr | Mus musculus |
| Vd | 0.7 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | Kd | = | 0.54 | nM | 9.27 | Binding affinity to Navi-tagged VHL (unknown origin) assessed as dissociation co... | 38809766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38809766 | 10.1021/acs.jmedchem.3c02203 | ADMET | 9 |
| 38809766 | 10.1021/acs.jmedchem.3c02203 | von Hippel-Lindau disease tumor suppressor | 3 |
Data from ChEMBL 36 via Core Engine