| BioID | bio1847 |
|---|
| Name | COTININE |
|---|
| ChEMBL ID | CHEMBL578211 |
|---|
| Molecular Formula | C10H12N2O |
|---|
| Molecular Weight | 176.22 |
|---|
| Molecular Weight (Monoisotopic) | 176.095 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | COTININA|COTININE|NICOTINE RELATED COMPOUND C |
|---|
| Smiles | CN1C(=O)CC[C@H]1c1cccnc1 |
|---|
| Inchi | InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 |
|---|
| Inchi Key | UIKROCXWUNQSPJ-VIFPVBQESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 81.0 |
|---|
| Bioactivities | 142.0 |
|---|
| Np Likeness Score | -0.42 |
|---|
| Records Key | ['SID26753539', 'NCGC00093739-01', 'cotinine', '42', 'SID50106043', 'SID90341278', 'COTININE', 'BDBM50370573', '(-)-Cotinine', 'SID50106041', 'SID50106042', 'SID50106044', 'COTININE', 'Cotinine', '(-)-Cotinine', 'SID170466160', 'Cotinine', 'COTININE', '(-)-Cotinine', '8', 'SID144204770', 'Cotinine', '(-)-COTININE', 'SAM001247007', 'Cotinine', '20', '(-)-Cotinine', 'Cotinine', '(-)-Cotinine', 'COVC-1750276349', '176272930'] |
|---|
| Records Name | ['SID26753539', '(-)-Cotinine', '(R)-1-Methyl-5-pyridin-3-yl-pyrrolidin-2-one', '(R)-1-Methyl-5-pyridin-3-yl-pyrrolidin-2-one', 'SID50106043', 'SID90341278', 'COTININE', 'COTININE::US8609708, 91 Cotinine', '(-)-Cotinine', 'SID50106041', 'SID50106042', 'SID50106044', 'COTININE', 'Cotinine', '(-)-Cotinine', 'SID170466160', 'Cotinine', 'COTININE', '(-)-Cotinine', 'S-(-)-Cotinine', 'SID144204770', 'Cotinine', '(-)-COTININE', 'C0164621', 'Cotinine', 'Cotinine', '(-)-Cotinine', 'Cotinine', '(-)-Cotinine', 'COTININE', 'COTININE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
