| BioID | bio2607 |
|---|
| Name | CAPADENOSON |
|---|
| ChEMBL ID | CHEMBL3235279 |
|---|
| Molecular Formula | C25H18ClN5O2S2 |
|---|
| Molecular Weight | 520.04 |
|---|
| Molecular Weight (Monoisotopic) | 519.059 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BAY 68-4986|BAY-68-4986|BAY-684986|CAPADENOSON|Capadenoson |
|---|
| Smiles | N#Cc1c(N)nc(SCc2csc(-c3ccc(Cl)cc3)n2)c(C#N)c1-c1ccc(OCCO)cc1 |
|---|
| Inchi | InChI=1S/C25H18ClN5O2S2/c26-17-5-1-16(2-6-17)24-30-18(13-34-24)14-35-25-21(12-28)22(20(11-27)23(29)31-25)15-3-7-19(8-4-15)33-10-9-32/h1-8,13,32H,9-10,14H2,(H2,29,31) |
|---|
| Inchi Key | CITWCLNVRIKQAF-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 73.0 |
|---|
| Bioactivities | 1040.0 |
|---|
| Np Likeness Score | -1.65 |
|---|
| Records Key | ['Capadenoson', '4, page S2,26', 'Capadenoson', 'Capadenoson', 'CAPADENOSON', 'CAPADENOSON', 'Capadenoson', 'EUB0000948a', 'EUB0000948a', 'EUB0000948a', 'EUB0000948a', 'EUB0000948a', 'EUB0000948a'] |
|---|
| Records Name | ['Capadenoson', '2-amino-6-((2-(4-chlorophenyl)thiazol-4-yl)methylthio)-4-(4-(2-hydroxyethoxy)phenyl)pyridine-3,5-dicarbonitrile', 'Capadenoson', 'Capadenoson', 'CAPADENOSON', 'CAPADENOSON', 'Capadenoson', 'Capadenoson', 'Capadenoson', 'Capadenoson', 'Capadenoson', 'Capadenoson', 'Capadenoson'] |
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| Withdrawn Flag | False |
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| Orphan | 0 |
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