Compound Detail
CHEMBL5436180
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Cc1sc2c(c1C)C(c1ccc(-c3ccc(C(=O)NCc4ccc(S(=O)(=O)Nc5ccc(C)c6c(C#N)c[nH]c56)cc4)cc3)cc1)=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
Basic Information
| ChEMBL ID | CHEMBL5436180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWUQIPOOWVQYNK-LHEWISCISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
865.0
MW (Da)
8.94
ALogP
11
HBA
3
HBD
184.2
PSA (Ų)
0.11
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4 CHEMBL4296140 | EC50 | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4 | EC50 | = | 0.15 | nM | 9.82 | PROTAC activity at VHL/BRD4 in human LNCaP cells assessed as reduction in protei... | 37738232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37738232 | 10.1021/acs.jmedchem.3c01209 | von Hippel-Lindau disease tumor suppressor/Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine