Compound Detail
CHEMBL5850058
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COc1cccc2c1C(=O)N([C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c3scnc3C)cc1)C(C)C)C2
Basic Information
| ChEMBL ID | CHEMBL5850058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOJPKSNELSHOJZ-UMFSSWHCSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
562.7
MW (Da)
3.39
ALogP
7
HBA
2
HBD
112.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | IC50 | 5.91 | 4.87 | 1220.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.91 | 4.87 | 1220.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 1220.0 | nM | 5.91 | Fluorescence Polarization Assay (0.25% DMSO): Ability of VHL ligands to compete ... | - |
| Unchecked | IC50 | = | 1220.0 | nM | 5.91 | Fluorescence Polarization Assay (0.25% in DMSO): Ability of VHL ligands to compe... | - |
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 24500.0 | nM | 4.61 | Fluorescence Polarization Assay (1% DMSO): Ability of VHL ligands to compete for... | - |
| Unchecked | IC50 | = | 24500.0 | nM | 4.61 | Fluorescence Polarization Assay (1% in DMSO): Ability of VHL ligands to compete ... | - |
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 81900.0 | nM | 4.09 | Fluorescence Polarization Assay (10% DMSO): Ability of VHL ligands to compete fo... | - |
| Unchecked | IC50 | = | 81900.0 | nM | 4.09 | Fluorescence Polarization Assay (10% in DMSO): Ability of VHL ligands to compete... | - |
Data from ChEMBL 36 via Core Engine