| BioID | bio2847 |
|---|
| Name | EMRACLIDINE |
|---|
| ChEMBL ID | CHEMBL5314557 |
|---|
| Molecular Formula | C20H21F3N4O |
|---|
| Molecular Weight | 390.41 |
|---|
| Molecular Weight (Monoisotopic) | 390.1667 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 1 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CVL-231|EMRACLIDINE|PF-06852231 |
|---|
| Smiles | Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccnc(C(F)(F)F)c3)C1)C2 |
|---|
| Inchi | InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3 |
|---|
| Inchi Key | DTCZNKWBDTXEBS-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -1.3 |
|---|
| Records Key | ['EMRACLIDINE', 'EMRACLIDINE'] |
|---|
| Records Name | ['EMRACLIDINE', 'EMRACLIDINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
