ID: ALA1684168
Chembl Id: CHEMBL1684168
PubChem CID: 53318571
Max Phase: Preclinical
Molecular Formula: C13H20Cl2OTe
Molecular Weight: 390.81
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCC[Te](Cl)(Cl)c1ccccc1[C@H](C)OC
Standard InChI: InChI=1S/C13H20Cl2OTe/c1-4-5-10-17(14,15)13-9-7-6-8-12(13)11(2)16-3/h6-9,11H,4-5,10H2,1-3H3/t11-/m0/s1
Standard InChI Key: LTHFOAIQCMDGKN-NSHDSACASA-N
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 390.81 | Molecular Weight (Monoisotopic): 391.9953 | AlogP: ┄ | #Rotatable Bonds: ┄ |
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| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
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| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. Piovan L, Alves MF, Juliano L, Brömme D, Cunha RL, Andrade LH.. (2011) Structure-activity relationships of hypervalent organochalcogenanes as inhibitors of cysteine cathepsins V and S., 19 (6): [PMID:21345684] [10.1016/j.bmc.2011.01.054] |
| 2. Piovan L, Milani P, Silva MS, Moraes PG, Demasi M, Andrade LH.. (2014) 20S proteasome as novel biological target for organochalcogenanes., 73 [PMID:24463395] [10.1016/j.ejmech.2013.12.011] |
| 3. Paschoalin T, Martens AA, Omori ÁT, Pereira FV, Juliano L, Travassos LR, Machado-Santelli GM, Cunha RLOR.. (2019) Antitumor effect of chiral organotelluranes elicited in a murine melanoma model., 27 (12): [PMID:30962115] [10.1016/j.bmc.2019.03.032] |
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