Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0X9YD
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| Former ID |
DNC014435
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| Drug Name |
ALLICIN
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| Synonyms |
Allicin; 539-86-6; Diallyl thiosulfinate; Diallyldisulfid-S-oxid; Thio-2-propene-1-sulfinic acid S-allyl ester; S-Allyl acrylo-1-sulphinothioate; Allylthiosulphinic acid allyl ester; DADSO; S-allyl prop-2-ene-1-sulfinothioate; diallyl disulfide-oxide; S-allyl 2-propene-1-sulfinothioate; C6H10OS2; CCRIS 9053; EINECS 208-727-7; 2-Propene-1-sulfinothioic acid, S-2-propenyl ester; BRN 1752823; 3-prop-2-enylsulfinylsulfanylprop-1-ene; CHEMBL359965; CHEBI:28411; 3-allylsulfinylsulfanylprop-1-ene; 2-Propene-1-sulfinic acid, thio-, S-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C6H10OS2
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| Canonical SMILES |
C=CCSS(=O)CC=C
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| InChI |
1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
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| InChIKey |
JDLKFOPOAOFWQN-UHFFFAOYSA-N
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| CAS Number |
CAS 539-86-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
9802, 529373, 640149, 7785165, 8189458, 12014323, 15194901, 26675631, 43121878, 50024491, 50388259, 53786775, 56314457, 57315252, 57391068, 93374769, 103451973, 104098517, 104332693, 117635742, 118048865, 119526511, 125352604, 126542419, 126689070, 128259149, 131318059, 132565109, 134351640, 135023252, 135651433, 136992433, 137231441, 139757665, 162183534, 162220031, 162546694, 163884506, 164806099, 174549347, 184548228, 198967867, 198967868, 221672641, 223673114, 223806358, 226395235, 241093322, 249810676
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| ChEBI ID |
CHEBI:28411
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cysteine protease (CYP) | Target Info | Inhibitor | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2419). | |||
| REF 2 | Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. Bioorg Med Chem Lett. 2010 Sep 15;20(18):5541-3. | |||
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