Compound Detail
CHEMBL5982814
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Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CNC(=O)OC(C)(C)C)C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL5982814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTKNFMYABFTAQP-ZFGGDYGUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
587.7
MW (Da)
2.75
ALogP
8
HBA
4
HBD
150.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | IC50 | 5.96 | 5.96 | 1110.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.96 | 1110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 1110.0 | nM | 5.96 | Fluorescence Polarization Assay (1% DMSO): Ability of VHL ligands to compete for... | - |
| Unchecked | IC50 | = | 1110.0 | nM | 5.96 | Fluorescence Polarization Assay (1% in DMSO): Ability of VHL ligands to compete ... | - |
Data from ChEMBL 36 via Core Engine