Compound Detail
CHEMBL5776955
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COCC#Cc1ccc2c(c1)CN([C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(-c3scnc3C)cc1)C(C)C)C2=O
Basic Information
| ChEMBL ID | CHEMBL5776955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZQIXKMTFOXRIS-FGUUHEIUSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
600.7
MW (Da)
3.38
ALogP
7
HBA
2
HBD
112.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | IC50 | 6.32 | 6.155 | 474.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.32 | 6.155 | 474.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 474.0 | nM | 6.32 | Fluorescence Polarization Assay (1% DMSO): Ability of VHL ligands to compete for... | - |
| Unchecked | IC50 | = | 474.0 | nM | 6.32 | Fluorescence Polarization Assay (1% in DMSO): Ability of VHL ligands to compete ... | - |
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 1030.0 | nM | 5.99 | Fluorescence Polarization Assay (10% DMSO): Ability of VHL ligands to compete fo... | - |
| Unchecked | IC50 | = | 1030.0 | nM | 5.99 | Fluorescence Polarization Assay (10% in DMSO): Ability of VHL ligands to compete... | - |
Data from ChEMBL 36 via Core Engine