| BioID | bio3017 |
|---|
| Name | ILACIRNON |
|---|
| ChEMBL ID | CHEMBL2178573 |
|---|
| Molecular Formula | C20H13ClF3N5O3S |
|---|
| Molecular Weight | 495.87 |
|---|
| Molecular Weight (Monoisotopic) | 495.038 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CCX-140|CCX140|CCX140-B|ILACIRNON |
|---|
| Smiles | Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 |
|---|
| Inchi | InChI=1S/C20H13ClF3N5O3S/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16/h2-9,29H,1H3,(H,25,27,28) |
|---|
| Inchi Key | LUUMLYXKTPBTQR-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -1.47 |
|---|
| Records Key | ['5637', '11B', 'ILACIRNON', 'BDBM50398343', 'ILACIRNON'] |
|---|
| Records Name | [None, '4-chloro-N-(5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide', 'ILACIRNON', 'CHEMBL2178573::US9394307, 4-chloro-N-(5-methyl-2-{7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl}pyridin-3-yl)-3-(trifluoromethyl)benzene-1-sulfonamide', 'ILACIRNON'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
