| BioID | bio3091 |
|---|
| Name | REMINERTANT |
|---|
| ChEMBL ID | CHEMBL506981 |
|---|
| Molecular Formula | C32H31ClN4O5 |
|---|
| Molecular Weight | 587.08 |
|---|
| Molecular Weight (Monoisotopic) | 586.1983 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | Meclinertant|REMINERTANT|SR-48692|SR48692 |
|---|
| Smiles | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12 |
|---|
| Inchi | InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40) |
|---|
| Inchi Key | DYLJVOXRWLXDIG-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 41.0 |
|---|
| Bioactivities | 157.0 |
|---|
| Np Likeness Score | -0.61 |
|---|
| Records Key | ['SR-48692', '1a, SR-48692', '31, SR-48692', 'SR-48692', '5a, SR48692', '5, SR 48692', '2, SR 48692', 'SID124950704', 'REMINERTANT', '26, SR-48692', '19, I-a, SR48692', 'REMINERTANT', 'MECLINERTANT', '1; SR48692', 'meclinertant', 'meclinertant', 'EUB0000385a', 'meclinertant', 'COVC-2288621773', 'EUB0000385a', 'EUB0000385a', 'EUB0000385a'] |
|---|
| Records Name | ['2-{[1-(6-Chloro-naphthalen-1-yl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carbonyl]-amino}-adamantane-2-carboxylic acid', '2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carbonyl]-amino}-adamantane-2-carboxylic acid', '2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carbonyl]-amino}-adamantane-2-carboxylic acid', '2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carbonyl]-amino}-adamantane-2-carboxylic acid', '2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carbonyl]-amino}-adamantane-2-carboxylic acid', '2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carbonyl]-amino}-adamantane-2-carboxylic acid', 'Merclinertant', 'SID124950704', 'REMINERTANT', 'Meclinertant', '2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-phenyl)-1H-pyrazole-3-carbonyl]-amino}-adamantane-2-carboxylic acid', 'REMINERTANT', 'MECLINERTANT', 'Meclinertant', 'meclinertant', 'meclinertant', 'REMINERTANT', 'meclinertant', 'MECLINERTANT', 'REMINERTANT', 'REMINERTANT', 'REMINERTANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
