| BioID | bio2699 |
|---|
| Name | EMICERFONT |
|---|
| ChEMBL ID | CHEMBL514270 |
|---|
| Molecular Formula | C22H24N6O2 |
|---|
| Molecular Weight | 404.47 |
|---|
| Molecular Weight (Monoisotopic) | 404.1961 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | EMICERFONT|Emicerfont|GW-876008|GW-876008X|GW876008|GW876008X |
|---|
| Smiles | COc1ccc(N2CCc3c(-n4ccc(N5CCNC5=O)n4)cc(C)nc32)c(C)c1 |
|---|
| Inchi | InChI=1S/C22H24N6O2/c1-14-12-16(30-3)4-5-18(14)26-9-6-17-19(13-15(2)24-21(17)26)28-10-7-20(25-28)27-11-8-23-22(27)29/h4-5,7,10,12-13H,6,8-9,11H2,1-3H3,(H,23,29) |
|---|
| Inchi Key | JFHJGXQFESYQGY-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 21.0 |
|---|
| Np Likeness Score | -1.41 |
|---|
| Records Key | ['EMICERFONT', 'EMICERFONT', '3, GW-876008'] |
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| Records Name | ['EMICERFONT', 'EMICERFONT', '1-(1-{6-Methyl-1-[2-methyl-4-(methyloxy)phenyl]-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)-2-imidazolidinone'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
