Diphenyl ditelluride

ID: ALA4540731

Cas Number: 32294-60-3

PubChem CID: 100657

Product Number: D155895, Order Now?

Max Phase: Preclinical

Molecular Formula: C12H10Te2

Molecular Weight: 409.41

Molecule Type: Unknown

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Associated Items:

Names and Identifiers

Canonical SMILES:  c1ccc([Te][Te]c2ccccc2)cc1

Standard InChI:  InChI=1S/C12H10Te2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H

Standard InChI Key:  VRLFOXMNTSYGMX-UHFFFAOYSA-N

Molfile:  

 
     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.9269   -2.9851    0.0000 Te  0  0  0  0  0  2  0  0  0  0  0  0
    5.3355   -3.6928    0.0000 Te  0  0  0  0  0  2  0  0  0  0  0  0
    4.1056   -2.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928   -3.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -3.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4629   -2.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928   -2.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1568   -3.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5695   -2.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3908   -2.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7994   -3.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3908   -4.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5695   -4.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  3  8  2  0
  1  3  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  9 14  2  0
  2  9  1  0
M  END

Alternative Forms

  1. Parent:

Associated Targets(non-human)

J774.A1 (2436 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Leishmania amazonensis (3813 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: 409.41Molecular Weight (Monoisotopic): 413.8907AlogP: #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. Bandeira PT, Souza JPA, Scariot DB, Garcia FP, Nakamura CV, de Oliveira ARM, Piovan L..  (2019)  Diacetal Ditellurides as Highly Active and Selective Antiparasitic Agents toward Leishmania amazonensis.,  10  (5): [PMID:31098003] [10.1021/acsmedchemlett.9b00060]

Source