Bioactive Compound Details
| BioID | bio4158 |
|---|---|
| Name | PATIDEGIB |
| ChEMBL ID | CHEMBL538867 |
| Molecular Formula | C29H48N2O3S |
| Molecular Weight | 504.78 |
| Molecular Weight (Monoisotopic) | 504.3386 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar21 |
| Target Name | Inflammation pathogenesis (IP) |
| Synonyms | FIN-5|IP-9|IP9 FREE BASE|IPI 926|IPI-926|IPI-926 FREE BASE|PATIDEGIB|Patidegib|SARIDEGIB |
| Smiles | CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C |
| Inchi | InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1 |
| Inchi Key | HZLFFNCLTRVYJG-WWGOJCOQSA-N |
| Molecular Species | BASE |
| Targets | 8.0 |
| Bioactivities | 23.0 |
| Np Likeness Score | 1.79 |
| Records Key | ['28', 'PATIDEGIB', 'PATIDEGIB'] |
| Records Name | [N-((2S,3R,3aS,3'R,4a'R,6S,6a'R,6b'S,7aR,12a'S,12b'S)-3,6,11',12b'-tetramethyl-2',3a,3',4,4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'H,3H-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulene]-3'-yl)methanesulfonamide", 'PATIDEGIB', 'PATIDEGIB']" |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
