Compound Detail
CHEMBL5556367
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NC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C1CCC1)n1cc(C2CC2)nn1
Basic Information
| ChEMBL ID | CHEMBL5556367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXCFMJMLSKBAGH-CZJMETBBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
556.7
MW (Da)
2.34
ALogP
7
HBA
3
HBD
143.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | Kd | 7.0 | 6.98 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | Kd | = | 100.0 | nM | 7.0 | Binding affinity to VHL (unknown origin)-NanoLuc fusion protein expressed in HEK... | 38809766 |
| von Hippel-Lindau disease tumor suppressor | Kd | = | 110.0 | nM | 6.96 | 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