BBJ
N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide
Find entries where: BBJ
is present as a standalone ligand in 4 entries
Chemical Component Summary | |
|---|---|
| Name | N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide |
| Identifiers | ~{N}-(3-bromanyl-4-fluoranyl-phenyl)-~{N}'-oxidanyl-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole-3-carboximidamide |
| Formula | C11 H13 Br F N7 O4 S |
| Molecular Weight | 438.233 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1cc(c(cc1N/C(=N\O)/c2c(non2)NCCNS(=O)(=O)N)Br)F |
| InChI | InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23) |
| InChIKey | FBKMWOJEPMPVTQ-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 0 |
| Bond Count | 39 |
| Aromatic Bond Count | 11 |
Drug Info: DrugBank
| DrugBank ID | DB11717? |
|---|---|
| Name | Epacadostat |
| Groups | investigational |
| Description | Epacadostat has been used in trials studying the treatment of HL, Melanoma, Glioblastoma, Mucosal Melanoma, and Ovarian Carcinoma, among others. |
| Synonyms |
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| Categories |
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| ATC-Code | L01XX58 |
| CAS number | 1204669-58-8 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL3545369 |
| PubChem | 135564890 |
| ChEMBL | CHEMBL3545369 |
| CCDC/CSD | EYALUO |
