Compound Detail
CHEMBL5532505
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CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(N)=O)C(C)(C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5532505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFKGTJQRWHWCIV-OVHUPFAXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
570.7
MW (Da)
2.31
ALogP
5
HBA
4
HBD
141.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | Kd | 5.51 | 5.425 | 3100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | Kd | = | 3100.0 | nM | 5.51 | Binding affinity to VHL (unknown origin)-NanoLuc fusion protein expressed in HEK... | 38809766 |
| von Hippel-Lindau disease tumor suppressor | Kd | = | 4600.0 | nM | 5.34 | 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