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3-(2-((tert-butyldimethylsilyl)oxy)ethyl)-5-methyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione ID: ALA5196609
Chembl Id: CHEMBL5196609
PubChem CID: 164883909
Max Phase: Preclinical
Molecular Formula: C18H29NO4Si
Molecular Weight: 351.52
Associated Items:
Names and Identifiers Canonical SMILES: CN1C(=O)C(CCO[Si](C)(C)C(C)(C)C)COC12C=CC(=O)C=C2
Standard InChI: InChI=1S/C18H29NO4Si/c1-17(2,3)24(5,6)23-12-9-14-13-22-18(19(4)16(14)21)10-7-15(20)8-11-18/h7-8,10-11,14H,9,12-13H2,1-6H3
Standard InChI Key: ZYHHMYPIFMIJAT-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 351.52Molecular Weight (Monoisotopic): 351.1866AlogP: ┄#Rotatable Bonds: ┄Polar Surface Area: ┄Molecular Species: ┄HBA: ┄HBD: ┄#RO5 Violations: ┄HBA (Lipinski): ┄HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: ┄CX LogP: ┄CX LogD: ┄Aromatic Rings: ┄Heavy Atoms: ┄QED Weighted: ┄Np Likeness Score: ┄
References 1. Dhorma LP, Teli MK, Nangunuri BG, Venkanna A, Ragam R, Maturi A, Mirzaei A, Vo DK, Maeng HJ, Kim MH.. (2022) Positioning of an unprecedented 1,5-oxaza spiroquinone scaffold into SMYD2 inhibitors in epigenetic space., 227 [PMID:34656041 ] [10.1016/j.ejmech.2021.113880 ]