| BioID | bio2539 |
|---|
| Name | AGANEPAG ISOPROPYL |
|---|
| ChEMBL ID | CHEMBL2105714 |
|---|
| Molecular Formula | C27H37NO4S |
|---|
| Molecular Weight | 471.66 |
|---|
| Molecular Weight (Monoisotopic) | 471.2443 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AGANEPAG ISOPROPYL|AGN-210961 |
|---|
| Smiles | CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)OC(C)C)s2)cc1 |
|---|
| Inchi | InChI=1S/C27H37NO4S/c1-4-5-6-10-24(29)20-11-13-22(14-12-20)28-21(15-18-26(28)30)8-7-9-23-16-17-25(33-23)27(31)32-19(2)3/h11-14,16-17,19,21,24,29H,4-10,15,18H2,1-3H3/t21-,24-/m0/s1 |
|---|
| Inchi Key | GKRBCKDGBDUAIQ-URXFXBBRSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.41 |
|---|
| Records Key | ['AGANEPAG ISOPROPYL', 'AGANEPAG ISOPROPYL'] |
|---|
| Records Name | ['AGANEPAG ISOPROPYL', 'AGANEPAG ISOPROPYL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
