Diphenyldiselenide

ID: ALA3122204

Chembl Id: CHEMBL3122204

Cas Number: 1666-13-3

PubChem CID: 15460

Product Number: W12478

Max Phase: Preclinical

Molecular Formula: C12H10Se2

Molecular Weight: 312.13

Molecule Type: Unknown

Associated Items:

Names and Identifiers

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

Standard InChI:  InChI=1S/C12H10Se2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H

Standard InChI Key:  YWWZCHLUQSHMCL-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

Associated Targets(Human)

HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BBOX1 Tchem Gamma-butyrobetaine dioxygenase (162 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT1 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SH-SY5Y (11521 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Aspergillus (103 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fusarium (166 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: 312.13Molecular Weight (Monoisotopic): 313.9113AlogP: #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. Domínguez-Álvarez E, Plano D, Font M, Calvo A, Prior C, Jacob C, Palop JA, Sanmartín C..  (2014)  Synthesis and antiproliferative activity of novel selenoester derivatives.,  73  [PMID:24389510] [10.1016/j.ejmech.2013.11.034]
2. Rizvi MA, Guru S, Naqvi T, Kumar M, Kumbhar N, Akhoon S, Banday S, Singh SK, Bhushan S, Mustafa Peerzada G, Shah BA..  (2014)  An investigation of in vitro cytotoxicity and apoptotic potential of aromatic diselenides.,  24  (15): [PMID:24961641] [10.1016/j.bmcl.2014.05.075]
3. Rydzik AM, Brem J, Struwe WB, Kochan GT, Benesch JL, Schofield CJ..  (2014)  Ejection of structural zinc leads to inhibition of γ-butyrobetaine hydroxylase.,  24  (21): [PMID:25266780] [10.1016/j.bmcl.2014.09.035]
4. Nascimento V, Ferreira NL, Canto RF, Schott KL, Waczuk EP, Sancineto L, Santi C, Rocha JB, Braga AL..  (2014)  Synthesis and biological evaluation of new nitrogen-containing diselenides.,  87  [PMID:25244678] [10.1016/j.ejmech.2014.09.022]
5. Barbosa FAR, Canto RFS, Saba S, Rafique J, Braga AL..  (2016)  Synthesis and evaluation of dihydropyrimidinone-derived selenoesters as multi-targeted directed compounds against Alzheimer's disease.,  24  (22): [PMID:27681239] [10.1016/j.bmc.2016.09.031]
6. Olsen JI, Plata GB, Padrón JM, López Ó, Bols M, Fernández-Bolaños JG..  (2016)  Selenoureido-iminosugars: A new family of multitarget drugs.,  123  [PMID:27474931] [10.1016/j.ejmech.2016.07.021]
7. da Rosa RM, Piccoli BC, da Silva FD, Dornelles L, Rocha JBT, Sonego MS, Begnini KR, Collares T, Seixas FK, Rodrigues OED..  (2017)  Synthesis, antioxidant and antitumoral activities of 5'-arylchalcogeno-3-aminothymidine (ACAT) derivatives.,  (2): [PMID:30108758] [10.1039/C6MD00640J]
8. Lenstra DC, Al Temimi AHK, Mecinović J..  (2018)  Inhibition of histone lysine methyltransferases G9a and GLP by ejection of structural Zn(II).,  28  (7): [PMID:29519735] [10.1016/j.bmcl.2018.02.043]
9. Roldán-Peña JM, Alejandre-Ramos D, López Ó, Maya I, Lagunes I, Padrón JM, Peña-Altamira LE, Bartolini M, Monti B, Bolognesi ML, Fernández-Bolaños JG..  (2017)  New tacrine dimers with antioxidant linkers as dual drugs: Anti-Alzheimer's and antiproliferative agents.,  138  [PMID:28728108] [10.1016/j.ejmech.2017.06.048]
10. Leitemberger A, Sonego MS, Garcia FD, Dos Santos ACF, Piccoli BC, da Silva FD, Oliveira CS, Seixas FK, Dornelles L, Rocha JBT, Nogara PA, Schachtschneider KM, Collares T, Rodrigues OED..  (2020)  Synthesis and biological evaluation of new antioxidant and antiproliferative chalcogenobiotin derivatives for bladder carcinoma treatment.,  28  (9): [PMID:32205047] [10.1016/j.bmc.2020.115423]
11. Arai K,Sato Y,Nakajima I,Saito M,Sasaki M,Kanamori A,Iwaoka M.  (2021)  Glutathione peroxidase-like functions of 1,2-diselenane-4,5-diol and its amphiphilic derivatives: Switchable catalytic cycles depending on peroxide substrates.,  29  [PMID:33203607] [10.1016/j.bmc.2020.115866]
12. 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]

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