| BioID | bio3048 |
|---|
| Name | EMAPUNIL |
|---|
| ChEMBL ID | CHEMBL513922 |
|---|
| Molecular Formula | C23H23N5O2 |
|---|
| Molecular Weight | 401.47 |
|---|
| Molecular Weight (Monoisotopic) | 401.1852 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AC-5216|EMAPUNIL|EMAPUNILO|XBD-173|XBD173 |
|---|
| Smiles | CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21 |
|---|
| Inchi | InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3 |
|---|
| Inchi Key | NBMBIEOUVBHEBM-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 25.0 |
|---|
| Np Likeness Score | -1.72 |
|---|
| Records Key | ['8', 'EMAPUNIL', '3, AC-5216', '2, AC-5216', 'Emapunil', 'Emapunil', 'EMAPUNIL', 'EMAPUNIL', 'COVC-2296909825', 'XBD-173', 'Emapunil'] |
|---|
| Records Name | ['emapunil', 'EMAPUNIL', 'N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenyl-7H-purin-9(8H)-yl)acetamide', 'N-benzyl-N-ethyl-2-(7,8-dihydro-7-methyl-8-oxo-2-phenyl-9H-purin-9-yl)acetamide', 'Emapunil', 'Emapunil', 'EMAPUNIL', 'EMAPUNIL', 'EMAPUNIL (PROPOSED INN)', 'N-benzyl-N-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)acetamide', 'Emapunil'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
