Compound Detail
CHEMBL2165586
ERIOCITRIN Enter ChEMBL ID:
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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)c(O)c3)CC4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2165586 |
| Name | ERIOCITRIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMQADRGFMLGFJF-MNPJBKLOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
596.5
MW (Da)
-1.46
ALogP
15
HBA
9
HBD
245.3
PSA (Ų)
0.17
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.99 | 4.99 | 10360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 10360.0 | nM | 4.99 | Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated ... | 29609120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34189920 | 10.1021/acs.jnatprod.1c00271 | Unchecked | 6 |
| 34189920 | 10.1021/acs.jnatprod.1c00271 | Mus musculus | 6 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | HL | 1 |
| 29043803 | 10.1021/acs.jnatprod.6b01052 | Chlamydia pneumoniae | 1 |
| 29609120 | 10.1016/j.ejmech.2018.03.041 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine