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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
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
Associated Targets(non-human)
Molecule Features
Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: No |
Drug Indications
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Calculated Properties
Molecular Weight: 409.41 | Molecular Weight (Monoisotopic): 413.8907 | AlogP: ┄ | #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] |