Compound Detail
CHEMBL72617
ARTOCARPIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL72617 |
| Name | ARTOCARPIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRGDFVQWQJIMEK-RMKNXTFCSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
5.76
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
Ki 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A3 CHEMBL256 | Ki | 5.34 | 5.34 | 4590.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.04 | 5.04 | 9090.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.73 | 4.535 | 18700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A3 | Ki | = | 4590.0 | nM | 5.34 | Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I... | 8691424 |
| Adenosine receptor A1 | Ki | = | 9090.0 | nM | 5.04 | Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]PIA disp... | 8691424 |
| RAW264.7 | IC50 | = | 18700.0 | nM | 4.73 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells assess... | 16643064 |
| RAW264.7 | IC50 | = | 45300.0 | nM | 4.34 | Cytotoxicity against mouse RAW264.7 cells by MTT assay | 16643064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36222797 | 10.1021/acs.jnatprod.2c00621 | Staphylococcus aureus | 51 |
| 36222797 | 10.1021/acs.jnatprod.2c00621 | Enterococcus | 9 |
| 8864236 | 10.1021/np960376j | NON-PROTEIN TARGET | 4 |
| 16643064 | 10.1021/np0600346 | RAW264.7 | 3 |
| 36222797 | 10.1021/acs.jnatprod.2c00621 | Acinetobacter baumannii | 2 |
| 36222797 | 10.1021/acs.jnatprod.2c00621 | Escherichia coli | 2 |
| 15165133 | 10.1021/np030467y | NON-PROTEIN TARGET | 2 |
| 15165133 | 10.1021/np030467y | SK-MEL-2 | 1 |
| 36222797 | 10.1021/acs.jnatprod.2c00621 | Unchecked | 1 |
| 15165133 | 10.1021/np030467y | KB | 1 |
| 15165133 | 10.1021/np030467y | MDA-MB-231 | 1 |
| 15165133 | 10.1021/np030467y | PC-3 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A1 | 1 |
| 15165133 | 10.1021/np030467y | CAKI-1 | 1 |
| 15165133 | 10.1021/np030467y | HCT-8 | 1 |
| 15165133 | 10.1021/np030467y | 1A9 | 1 |
| 15165133 | 10.1021/np030467y | MCF7 | 1 |
| 15165133 | 10.1021/np030467y | A549 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptors; A1 & A3 | 1 |
| 8691424 | 10.1021/jm950923i | Adenosine receptor A3 | 1 |
Data from ChEMBL 36 via Core Engine