1,2-di(thiophen-2-yl)diselane

ID: ALA5284714

Chembl Id: CHEMBL5284714

Max Phase: Preclinical

Molecular Formula: C8H6S2Se2

Molecular Weight: 324.19

Associated Items:

Names and Identifiers

Canonical SMILES:  c1csc([Se][Se]c2cccs2)c1

Standard InChI:  InChI=1S/C8H6S2Se2/c1-3-7(9-5-1)11-12-8-4-2-6-10-8/h1-6H

Standard InChI Key:  NLKLUGVCAPFMIE-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA5284714

    ---

Associated Targets(non-human)

Enterococcus faecalis (29875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus saprophyticus (562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bacillus cereus (7522 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: 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: 324.19Molecular Weight (Monoisotopic): 325.8241AlogP: #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. Chuai H, Zhang SQ, Bai H, Li J, Wang Y, Sun J, Wen E, Zhang J, Xin M..  (2021)  Small molecule selenium-containing compounds: Recent development and therapeutic applications.,  223  [PMID:34217061] [10.1016/j.ejmech.2021.113621]

Source