Onalespib (CHEM103005)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 13:39:41 UTC | ||||||||
| Update Date | 2026-08-22 03:55:06 UTC | ||||||||
| Accession Number | CHEM103005 | ||||||||
| Identification | |||||||||
| Common Name | Onalespib | ||||||||
| Class | Small Molecule | ||||||||
| Description | Onalespib is an organic compound with the chemical formula C24H31N3O3 and an average molecular weight of 409.53 g/mol. Onalespib belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified within the superclass of benzenoids. Regarding its biological activity, one protein target is recorded for this compound, acting as an inhibitor of Heat shock protein HSP 90-alpha (HSP90AA1). | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C24H31N3O3 | ||||||||
| Average Molecular Mass | 409.530 g/mol | ||||||||
| Monoisotopic Mass | 409.237 g/mol | ||||||||
| CAS Registry Number | 912999-49-6 | ||||||||
| IUPAC Name | 4-{5-[(4-methylpiperazin-1-yl)methyl]-2,3-dihydro-1H-isoindole-2-carbonyl}-6-(propan-2-yl)benzene-1,3-diol | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC(C)C1=CC(C(=O)N2CC3=C(C2)C=C(CN2CCN(C)CC2)C=C3)=C(O)C=C1O | ||||||||
| InChI Identifier | 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 | ||||||||
| InChI Key | IFRGXKKQHBVPCQ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
