Compound Detail
CHEMBL4437511
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COc1ccc(/C=C/C(=O)O[C@@H]2C[C@@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]2O)cc1O
Basic Information
| ChEMBL ID | CHEMBL4437511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLWOGXLYVLMHAS-GMGOHGFSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
1.33
ALogP
11
HBA
6
HBD
200.3
PSA (Ų)
0.16
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptojanin-2 CHEMBL4523129 | IC50 | 5.5 | 5.5 | 3170.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptojanin-2 | IC50 | = | 3170.0 | nM | 5.5 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 3170.0 | nM | 5.5 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 3170.0 | nM | 5.5 | Inhibition of recombinant full length C-Myc/DDK-tagged human SYNJ2 expressed in ... | - |
Data from ChEMBL 36 via Core Engine