Compound Detail
CHEMBL5395747
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COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(C#N)CC2)C(C)(C)C)ccc1-c1scnc1C
Basic Information
| ChEMBL ID | CHEMBL5395747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZRRXSANMCECCY-QMHWCDLVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
2.54
ALogP
8
HBA
3
HBD
144.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C CHEMBL3301400 | Kd | 6.79 | 6.79 | 163.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C | Kd | = | 163.0 | nM | 6.79 | Binding affinity to N-terminal His6-tagged VHL (54 to 213 residues)/Elongin B/El... | 37708384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37708384 | 10.1021/acs.jmedchem.3c00434 | Von Hippel-Lindau disease tumor suppressor/Elongin B/Elongin C | 1 |
| 37708384 | 10.1021/acs.jmedchem.3c00434 | No relevant target | 1 |
| 37708384 | 10.1021/acs.jmedchem.3c00434 | Albumin | 1 |
Data from ChEMBL 36 via Core Engine