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CHEBI:756995 - ibrexafungerp
| Formula | C44H67N5O4 |
| Net Charge | 0 |
| Average Mass | 730.051 |
| Monoisotopic Mass | 729.51931 |
| SMILES | [H][C@@]12CC[C@@]3([H])C(=CC[C@@]4(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]34C)[C@]13COC[C@@]2(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](n1ncnc1-c1ccncc1)C3 |
| InChI | InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1 |
| InChIKey | BODYFEUFKHPRCK-ZCZMVWJSSA-N |
| Roles Classification |
|---|
| Biological Roles: | antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Application: | antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ibrexafungerp (CHEBI:756995) has role antifungal agent (CHEBI:35718) |
| ibrexafungerp (CHEBI:756995) has role antifungal drug (CHEBI:86327) |
| ibrexafungerp (CHEBI:756995) is a hydroxy steroid (CHEBI:35350) |
| Synonyms | Source |
|---|---|
| Ibrexafungerp | ChEMBL |
| MK 3118 | ChEMBL |
| MK-3118 | ChEMBL |
| MK3118 | ChEMBL |
| MK-3118 FREE BASE | ChEMBL |
| SCY-078 | ChEMBL |
| Citations |
|---|