Compound Detail
CHEMBL9723
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
CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCNCCSSC(=O)CCC(=O)ON4C(=O)CCC4=O)cc3)[nH]c2n(CCC)c1=O
Basic Information
| ChEMBL ID | CHEMBL9723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCDTTXGAJHVPDS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
717.8
MW (Da)
1.75
ALogP
15
HBA
3
HBD
203.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 7.26 | 7.26 | 54.9 | 1 |
| Adenosine A2 receptor CHEMBL2094117 | Ki | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 54.9 | nM | 7.26 | Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[... | 2709373 |
| Adenosine A2 receptor | Ki | = | 1050.0 | nM | 5.98 | Inhibition of [3H]N-ethyladenosine-5'-uronamide binding to Adenosine A2 receptor... | 2709373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2709373 | 10.1021/jm00125a019 | Adenosine receptor A1 | 3 |
| 2709373 | 10.1021/jm00125a019 | Adenosine A2 receptor | 1 |
| 2709373 | 10.1021/jm00125a019 | Adenosine receptors; A1 & A2 | 1 |
Data from ChEMBL 36 via Core Engine