| BioID | bio2676 |
|---|
| Name | MILFASARTAN |
|---|
| ChEMBL ID | CHEMBL429847 |
|---|
| Molecular Formula | C30H30N6O3S |
|---|
| Molecular Weight | 554.68 |
|---|
| Molecular Weight (Monoisotopic) | 554.21 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | MILFASARTAN |
|---|
| Smiles | CCCCc1nc(C)n(Cc2sccc2C(=O)OC)c(=O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 |
|---|
| Inchi | InChI=1S/C30H30N6O3S/c1-4-5-10-26-25(29(37)36(19(2)31-26)18-27-24(15-16-40-27)30(38)39-3)17-20-11-13-21(14-12-20)22-8-6-7-9-23(22)28-32-34-35-33-28/h6-9,11-16H,4-5,10,17-18H2,1-3H3,(H,32,33,34,35) |
|---|
| Inchi Key | QVFVAKQHELFATN-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -1.15 |
|---|
| Records Key | ['3k', 'LR-B081', '2, milfasartan', 'MILFASARTAN', '88, LR B081'] |
|---|
| Records Name | [2-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-6H-pyrimidin-1-ylmethyl}-thiophene-3-carboxylic acid methyl ester", "2-{4-Butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-6H-pyrimidin-1-ylmethyl}-thiophene-3-carboxylic acid methyl ester", "2-{4-butyl-2-methyl-6-oxo-5-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-6H-pyrimidin-1-ylmethyl}-thiophene-3-carboxylic acid methyl ester", 'MILFASARTAN', "methyl 2-((5-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-4-butyl-2-methyl-6-oxopyrimidin-1(6H)-yl)methyl)thiophene-3-carboxylate"]" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
