| BioID | bio4201 |
|---|
| Name | BUTRIPTYLINE |
|---|
| ChEMBL ID | CHEMBL2110816 |
|---|
| Molecular Formula | C21H27N |
|---|
| Molecular Weight | 293.45 |
|---|
| Molecular Weight (Monoisotopic) | 293.2143 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 4 |
|---|
| Target ID | Tar4 |
|---|
| Target Name | Thromboxane-A synthase (TBXAS1) |
|---|
| Synonyms | BUTRIPTILINA|BUTRIPTYLINE|EVADENE|EVADYNE |
|---|
| Smiles | CC(CC1c2ccccc2CCc2ccccc21)CN(C)C |
|---|
| Inchi | InChI=1S/C21H27N/c1-16(15-22(2)3)14-21-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)21/h4-11,16,21H,12-15H2,1-3H3 |
|---|
| Inchi Key | ALELTFCQZDXAMQ-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 31.0 |
|---|
| Bioactivities | 55.0 |
|---|
| Np Likeness Score | -0.13 |
|---|
| Records Key | ['SID170466439', 'BUTRIPTYLINE', 'BUTRIPTYLINE', 'COVC-0677708005', 'butriptyline'] |
|---|
| Records Name | ['SID170466439', 'BUTRIPTYLINE', 'BUTRIPTYLINE', 'BUTRIPTYLINE', 'butriptyline'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
