| BioID | bio3079 |
|---|
| Name | ATICAPRANT |
|---|
| ChEMBL ID | CHEMBL1921847 |
|---|
| Molecular Formula | C26H27FN2O2 |
|---|
| Molecular Weight | 418.51 |
|---|
| Molecular Weight (Monoisotopic) | 418.2057 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ATICAPRANT|CERC-501|JNJ-67953964|JNJ-67953964-AAA|JSPA-0658|JSPA0658|LY-2456302|LY2456302 |
|---|
| Smiles | Cc1cc(C)cc([C@@H]2CCCN2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1 |
|---|
| Inchi | InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)/t24-/m0/s1 |
|---|
| Inchi Key | ZHPMYDSXGRRERG-DEOSSOPVSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 62.0 |
|---|
| Np Likeness Score | -1.1 |
|---|
| Records Key | ['29', 'LY2456302', '7; 35c, CERC-501', 'LY2456302', 'ATICAPRANT', 'LY2456302', '36a', 'ATICAPRANT', '12g, LY2456302', 'COVC-3907548781', 'CERC-501'] |
|---|
| Records Name | ['4-[4-[[(2S)-2-(3,5-Dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluoro-benzamide', '(S)-4-(4-((2-(3,5-dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide', '(S)-4-(4-((2-(3,5-dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide', '(S)-4-(4-((2-(3,5-dimethylphenyl)-pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide', 'ATICAPRANT', '(S)-4-(4-((2-(3,5-dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide', '4-{4-[2-(3,5-dimethylphenyl)pyrrolidin-1-ylmethyl]phenoxy}-3-fluorobenzamide', 'ATICAPRANT', '(S)-4-(4-((2-(3,5-dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamide', 'ATICAPRANT', 'Aticaprant'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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