Compound Detail
CHEMBL5757017
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Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)N2Cc3ccc(Br)cc3C2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5757017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVUFLGVKYVCKFG-VJTSUQJLSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
611.6
MW (Da)
4.14
ALogP
6
HBA
2
HBD
102.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | IC50 | 7.79 | 6.6233 | 16.3 | 3 |
| Unchecked CHEMBL612545 | IC50 | 7.79 | 6.6233 | 16.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 16.3 | nM | 7.79 | Fluorescence Polarization Assay (10% DMSO): Ability of VHL ligands to compete fo... | - |
| Unchecked | IC50 | = | 16.3 | nM | 7.79 | Fluorescence Polarization Assay (10% in DMSO): Ability of VHL ligands to compete... | - |
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 542.0 | nM | 6.27 | Fluorescence Polarization Assay (1% DMSO): Ability of VHL ligands to compete for... | - |
| Unchecked | IC50 | = | 542.0 | nM | 6.27 | Fluorescence Polarization Assay (1% in DMSO): Ability of VHL ligands to compete ... | - |
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 1560.0 | nM | 5.81 | Fluorescence Polarization Assay (0.25% DMSO): Ability of VHL ligands to compete ... | - |
| Unchecked | IC50 | = | 1560.0 | nM | 5.81 | Fluorescence Polarization Assay (0.25% in DMSO): Ability of VHL ligands to compe... | - |
Data from ChEMBL 36 via Core Engine