Chemical Component Summary | |
|---|---|
| Name | Onalespib |
| Synonyms | AT13387 |
| Identifiers | [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone |
| Formula | C24 H31 N3 O3 |
| Molecular Weight | 409.521 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C |
| InChI | InChI=1S/C24H31N3O3/c1-16(2)20-11-21(23(29)12-22(20)28)24(30)27-14-18-5-4-17(10-19(18)15-27)13-26-8-6-25(3)7-9-26/h4-5,10-12,16,28-29H,6-9,13-15H2,1-3H3 |
| InChIKey | IFRGXKKQHBVPCQ-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 61 |
| Chiral Atom Count | 0 |
| Bond Count | 64 |
| Aromatic Bond Count | 12 |
Drug Info: DrugBank
| DrugBank ID | DB06306 |
|---|---|
| Name | Onalespib |
| Groups | investigational |
| Synonyms | Onalespib |
| Indication | Investigated for use/treatment in cancer/tumors (unspecified). |
| Categories |
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| CAS number | 912999-49-6 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL1214827 |
| PubChem | 11955716 |
| ChEMBL | CHEMBL1214827 |
| ChEBI | CHEBI:140592 |
