Compound Detail
CHEMBL4590432
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C[C@]12C[C@@H](O)[C@@H]3C[C@@]1(O[C@@H]1O[C@H](COC(=O)c4ccccc4)[C@@H](O)[C@H](O)[C@H]1O)[C@]3(COC(=O)c1ccccc1)C(=O)O2
Basic Information
| ChEMBL ID | CHEMBL4590432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHQGREQIJCCKHT-ACZWZNQISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
584.6
MW (Da)
0.35
ALogP
12
HBA
4
HBD
178.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptojanin-2 CHEMBL4523129 | IC50 | 5.22 | 5.22 | 6020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptojanin-2 | IC50 | = | 6020.0 | nM | 5.22 | Inhibition of recombinant full length C-Myc/DDK-tagged human SYNJ2 expressed in ... | - |
Data from ChEMBL 36 via Core Engine