Compound Detail
CHEMBL4434780
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O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cccc(O)c3O)c(O)c(Cc3cccc(O)c3O)c(O)c21
Basic Information
| ChEMBL ID | CHEMBL4434780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNGIBTXFKBGNIR-QHCPKHFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
4.81
ALogP
8
HBA
6
HBD
147.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptojanin-2 CHEMBL4523129 | IC50 | 4.99 | 4.99 | 10300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptojanin-2 | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32067457 | 10.1021/acs.jnatprod.9b00721 | Plasmodium falciparum | 2 |
| 32067457 | 10.1021/acs.jnatprod.9b00721 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine