Compound Detail
CHEMBL522251
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL522251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYGRISUQIZNHGM-IVABAYMNSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
484.4
MW (Da)
-1.26
ALogP
14
HBA
9
HBD
243.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.12
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptojanin-2 CHEMBL4523129 | IC50 | 5.12 | 5.12 | 7530.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptojanin-2 | IC50 | = | 7530.0 | nM | 5.12 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 7530.0 | nM | 5.12 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 7530.0 | nM | 5.12 | Inhibition of recombinant full length C-Myc/DDK-tagged human SYNJ2 expressed in ... | - |
| Human immunodeficiency virus 1 | IC50 | = | 38000.0 | nM | 4.42 | Compound was tested for anti-HIV activity in cell culture assay expressed as IC5... | - |
| Human immunodeficiency virus 1 | EC50 | = | 50000.0 | nM | 4.3 | Anti-HIV activity in cell culture assay expressed as EC50 values. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus 1 | 3 |
| - | 10.1016/S0960-894X(00)80422-9 | ADMET | 1 |
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Protein kinase C (PKC) | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Protein kinase C, PKC; classical/novel | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Unchecked | 1 |
| 1431932 | 10.1021/np50086a002 | TE-671 | 1 |
| 1431932 | 10.1021/np50086a002 | HCT-8 | 1 |
| 1431932 | 10.1021/np50086a002 | A549 | 1 |
| 1431932 | 10.1021/np50086a002 | KB | 1 |
| 1431932 | 10.1021/np50086a002 | NON-PROTEIN TARGET | 1 |
| 32731188 | 10.1016/j.ejmech.2020.112609 | K562 | 1 |
| 32731188 | 10.1016/j.ejmech.2020.112609 | HL-60 | 1 |
| 32731188 | 10.1016/j.ejmech.2020.112609 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine