3,5-O,O-di-triisopropyLsilyl-4-ethylcarbamoyl resveratrol

ID: ALA4857150

Chembl Id: CHEMBL4857150

PubChem CID: 153432754

Max Phase: Preclinical

Molecular Formula: C35H57NO4Si2

Molecular Weight: 612.02

Molecule Type: Unknown

Associated Items:

Names and Identifiers

Canonical SMILES:  CCC(=O)NOc1ccc(/C=C/c2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1

Standard InChI:  InChI=1S/C35H57NO4Si2/c1-14-35(37)36-38-32-19-17-30(18-20-32)15-16-31-21-33(39-41(24(2)3,25(4)5)26(6)7)23-34(22-31)40-42(27(8)9,28(10)11)29(12)13/h15-29H,14H2,1-13H3,(H,36,37)/b16-15+

Standard InChI Key:  DRZXNLFDRRDWAX-FOCLMDBBSA-N

Alternative Forms

  1. Parent:

    ALA4857150

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Associated Targets(non-human)

Bacillus cereus (7522 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Clostridium beijerinckii (74 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Clostridium botulinum (46 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Clostridioides difficile (2968 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Clostridium perfringens (1165 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Clostridium tetani (653 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 612.02Molecular Weight (Monoisotopic): 611.3826AlogP: #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. Belmonte-Reche E, Peñalver P, Caro-Moreno M, Mateos-Martín ML, Adán N, Delgado M, González-Rey E, Morales JC..  (2021)  Silyl resveratrol derivatives as potential therapeutic agents for neurodegenerative and neurological diseases.,  223  [PMID:34175536] [10.1016/j.ejmech.2021.113655]
2. Cebrián R, Li Q, Peñalver P, Belmonte-Reche E, Andrés-Bilbao M, Lucas R, de Paz MV, Kuipers OP, Morales JC..  (2022)  Chemically Tuning Resveratrol for the Effective Killing of Gram-Positive Pathogens.,  85  (6.0): [PMID:35621995] [10.1021/acs.jnatprod.1c01107]

Source