| BioID | bio2192 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL117831 |
|---|
| Molecular Formula | C18H10F3N3 |
|---|
| Molecular Weight | 325.29 |
|---|
| Molecular Weight (Monoisotopic) | 325.0827 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-cyano-2-trifluoromethylneocryptolepine |
|---|
| Smiles | Cn1c2nc3ccc(C#N)cc3c-2cc2cc(C(F)(F)F)ccc21 |
|---|
| Inchi | InChI=1S/C18H10F3N3/c1-24-16-5-3-12(18(19,20)21)7-11(16)8-14-13-6-10(9-22)2-4-15(13)23-17(14)24/h2-8H,1H3 |
|---|
| Inchi Key | ILJCZQVNOTYOMQ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -1.46 |
|---|
| Records Key | ['1n', 'SI, 9-cyano-2-trifluoromethylneocryptolepine'] |
|---|
| Records Name | ['10-Methyl-7-trifluoromethyl-10H-10,11-diaza-benzo[b]fluorene-3-carbonitrile', '9-cyano-2-trifluoromethylneocryptolepine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
