Compound Detail
CHEMBL290914
EMODIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL290914 |
| Name | EMODIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJXVNNSMRGTDBI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
300.2
MW (Da)
1.28
ALogP
6
HBA
4
HBD
132.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.37 | 4190.0 | 2 |
| Accessory gene regulator protein A CHEMBL1681616 | IC50 | 4.51 | 4.51 | 30600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4190.0 | nM | 5.38 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 4415.0 | nM | 5.36 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Accessory gene regulator protein A | IC50 | = | 30600.0 | nM | 4.51 | Inhibition of AGR quorum sensing system in methicillin-resistant Staphylococcus ... | 24911880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28509552 | 10.1021/acs.jnatprod.7b00269 | Jurkat | 2 |
| 20158243 | 10.1021/np900526y | NCI/ADR-RES | 2 |
| 20158243 | 10.1021/np900526y | PANC-1 | 2 |
| 20158243 | 10.1021/np900526y | DLD-1 | 2 |
| 20158243 | 10.1021/np900526y | Staphylococcus aureus | 2 |
| 28509552 | 10.1021/acs.jnatprod.7b00269 | HeLa | 1 |
| 1578486 | 10.1021/jm00087a014 | Chymotrypsin-like elastase family member 2A | 1 |
| 28509552 | 10.1021/acs.jnatprod.7b00269 | K562 | 1 |
| 24911880 | 10.1021/np5000704 | Accessory gene regulator protein A | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 20158243 | 10.1021/np900526y | Candida albicans | 1 |
| 20158243 | 10.1021/np900526y | Pseudomonas aeruginosa | 1 |
| 20158243 | 10.1021/np900526y | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 20158243 | 10.1021/np900526y | Histone deacetylase 1 | 1 |
| 1578486 | 10.1021/jm00087a014 | Cathepsin G | 1 |
| 1578486 | 10.1021/jm00087a014 | Chymotrypsinogen A | 1 |
| 1578486 | 10.1021/jm00087a014 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine