| BioID | bio2273 |
|---|
| Name | ALNIDITAN |
|---|
| ChEMBL ID | CHEMBL88240 |
|---|
| Molecular Formula | C17H26N4O |
|---|
| Molecular Weight | 302.42 |
|---|
| Molecular Weight (Monoisotopic) | 302.2107 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ALNIDITAN |
|---|
| Smiles | c1ccc2c(c1)CC[C@H](CNCCCNC1=NCCCN1)O2 |
|---|
| Inchi | InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1 |
|---|
| Inchi Key | QVSXOXCYXPQXMF-OAHLLOKOSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | 0.04 |
|---|
| Records Key | ['13', 'COVC-0678865581'] |
|---|
| Records Name | [N-(R)-1-Chroman-2-ylmethyl-N'-(1,4,5,6-tetrahydro-pyrimidin-2-yl)-propane-1,3-diamine", 'ALNIDITAN']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
