| BioID | bio2403 |
|---|
| Name | TEMELASTINE |
|---|
| ChEMBL ID | CHEMBL70598 |
|---|
| Molecular Formula | C21H24BrN5O |
|---|
| Molecular Weight | 442.36 |
|---|
| Molecular Weight (Monoisotopic) | 441.1164 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | SK&F 93944|TEMELASTINA|TEMELASTINE |
|---|
| Smiles | Cc1ccc(Cc2c[nH]c(NCCCCc3ncc(Br)cc3C)nc2=O)cn1 |
|---|
| Inchi | InChI=1S/C21H24BrN5O/c1-14-9-18(22)13-25-19(14)5-3-4-8-23-21-26-12-17(20(28)27-21)10-16-7-6-15(2)24-11-16/h6-7,9,11-13H,3-5,8,10H2,1-2H3,(H2,23,26,27,28) |
|---|
| Inchi Key | OGEAASSLWZDQBM-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.84 |
|---|
| Records Key | ['114 (temelastine)', 'Temelastine', 'TEMELASTINE'] |
|---|
| Records Name | ['2-[4-(5-Bromo-3-methyl-pyridin-2-yl)-butylamino]-5-(6-methyl-pyridin-3-ylmethyl)-3H-pyrimidin-4-one', '2-[4-(5-Bromo-3-methyl-pyridin-2-yl)-butylamino]-5-(6-methyl-pyridin-3-ylmethyl)-3H-pyrimidin-4-one', 'TEMELASTINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
