| BioID | bio3005 |
|---|
| Name | NELOTANSERIN |
|---|
| ChEMBL ID | CHEMBL598172 |
|---|
| Molecular Formula | C18H15BrF2N4O2 |
|---|
| Molecular Weight | 437.24 |
|---|
| Molecular Weight (Monoisotopic) | 436.0346 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | APD-125|APD125|NELOTANSERIN|NELOTANSERINA|NELOTANSERINE|Nelotanserin |
|---|
| Smiles | COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C |
|---|
| Inchi | InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26) |
|---|
| Inchi Key | COSPVUFTLGQDQL-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 18.0 |
|---|
| Np Likeness Score | -1.93 |
|---|
| Records Key | ['NELOTANSERIN', 'Nelotanserin', '39', 'NELOTANSERIN'] |
|---|
| Records Name | ['NELOTANSERIN', 'Nelotanserin', '1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea', 'NELOTANSERIN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
