| BioID | bio3111 |
|---|
| Name | ENCALERET |
|---|
| ChEMBL ID | CHEMBL1672973 |
|---|
| Molecular Formula | C29H33ClFNO4 |
|---|
| Molecular Weight | 514.04 |
|---|
| Molecular Weight (Monoisotopic) | 513.2082 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ENCALERET|JTT-305 |
|---|
| Smiles | Cc1cc(-c2ccccc2[C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc(Cl)c(F)c2)ccc1C(=O)O |
|---|
| Inchi | InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1 |
|---|
| Inchi Key | UNFHDRVFEQPUEL-DENIHFKCSA-N |
|---|
| Molecular Species | ZWITTERION |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 16.0 |
|---|
| Np Likeness Score | -0.71 |
|---|
| Records Key | ['ENCALERET', '15, JTT-305', 'ENCALERET'] |
|---|
| Records Name | ['ENCALERET', 2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-methylpropan-2-ylamino]-2-hydroxypropoxy}ethyl)-3-methylbiphenyl-4-carboxylic acid hemisulfate", 'ENCALERET']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
