Compound Detail
CHEMBL159303
EPIAFZELECHIN (2R,3R)(-) Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL159303 |
| Name | EPIAFZELECHIN (2R,3R)(-) |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSYUFYQTACJFML-UKRRQHHQSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
1.84
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.19 | 5.005 | 6400.0 | 2 |
| Synaptojanin-2 CHEMBL4523129 | IC50 | 4.8 | 4.8 | 15900.0 | 3 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.16 | 4.16 | 69700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of COX1 | 11858749 |
| Prostaglandin G/H synthase 1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of COX1 | 16038536 |
| Synaptojanin-2 | IC50 | = | 15900.0 | nM | 4.8 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 15900.0 | nM | 4.8 | Inhibition of C-Myc/DDK-tagged human recombinant SYNJ2 expressed in HEK293T cell... | - |
| Synaptojanin-2 | IC50 | = | 15900.0 | nM | 4.8 | Inhibition of recombinant full length C-Myc/DDK-tagged human SYNJ2 expressed in ... | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 69700.0 | nM | 4.16 | Inhibition of COX2 | 11858749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21070009 | 10.1021/np100090e | NON-PROTEIN TARGET | 3 |
| 22348826 | 10.1016/j.ejmech.2012.01.057 | Brugia malayi | 3 |
| 21070009 | 10.1021/np100090e | Liver | 2 |
| - | 10.1016/0960-894X(96)00095-9 | H9 | 1 |
| - | 10.1016/0960-894X(96)00095-9 | Human immunodeficiency virus 1 | 1 |
| - | 10.1016/0960-894X(96)00095-9 | ADMET | 1 |
| 11170672 | 10.1021/np000251l | Radical scavenging activity | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 11858749 | 10.1021/np010451c | Prostaglandin G/H synthase 1 | 1 |
| 11858749 | 10.1021/np010451c | Prostaglandin G/H synthase 2 | 1 |
| 11858749 | 10.1021/np010451c | Unchecked | 1 |
| 19931462 | 10.1016/j.bmc.2009.10.063 | Unchecked | 1 |
| 21070009 | 10.1021/np100090e | Radical scavenging activity | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
Data from ChEMBL 36 via Core Engine