79A
3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
Find entries where: 79A
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
|---|---|
| Name | 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile |
| Synonyms | PT2385 |
| Identifiers | 3-[[(1~{S})-2,2-bis(fluoranyl)-7-methylsulfonyl-1-oxidanyl-1,3-dihydroinden-4-yl]oxy]-5-fluoranyl-benzenecarbonitrile |
| Formula | C17 H12 F3 N O4 S |
| Molecular Weight | 383.342 |
| Type | NON-POLYMER |
| Isomeric SMILES | CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N |
| InChI | InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1 |
| InChIKey | ONBSHRSJOPSEGS-INIZCTEOSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 1 |
| Bond Count | 40 |
| Aromatic Bond Count | 12 |
Drug Info: DrugBank
| DrugBank ID | DB16055 |
|---|---|
| Name | PT-2385 |
| Groups | investigational |
| Description | PT-2385 is under investigation in clinical trial NCT03108066 (PT2385 for the Treatment of Von Hippel-lindau Disease-associated Clear Cell Renal Cell Carcinoma). |
| Synonyms | PT-2385 |
| CAS number | 1672665-49-4 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL4173075 |
| PubChem | 91754484 |
| ChEMBL | CHEMBL4173075 |
