Compound Detail
CHEMBL5568085
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Cc1ncsc1-c1ccc(C[C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](n2cc(C3CC3)nn2)C23CC4CC(CC(C4)C2)C3)cc1
Basic Information
| ChEMBL ID | CHEMBL5568085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXMQAEPAPMLWRT-WAJOZAFJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
628.8
MW (Da)
5.05
ALogP
8
HBA
2
HBD
113.2
PSA (Ų)
0.34
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | Kd | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | Kd | = | 2.8 | nM | 8.55 | Binding affinity to VHL (unknown origin)-NanoLuc fusion protein expressed in HEK... | 38809766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38809766 | 10.1021/acs.jmedchem.3c02203 | von Hippel-Lindau disease tumor suppressor | 2 |
Data from ChEMBL 36 via Core Engine