| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 35 | Yes |
Popular Name: Probucol Probucol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 23288-49-5 , [23288-49-5]
2,2-Propdiyl-bis(4-thio-2,6-di-tert-butylphenole)
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol
23288-49-5; D00476; Lorelco (TN); Probucol (JP16/USP/INN)
23288-49-5; Prestwick_408; Probucol
4,4'- (Isopropylidenedithio)bis(2, 6-di-tert-butylphenol)
4,4'-(Isopropylidenedithio)bis(2, 6-di-tert-butylphenol)
4,4'-(Isopropylidenedithio)bis(2,6-di-tert-butylphenol)
4,4'-(Isopropylidenedithio)bis[2, 6-di-tert-butylphenol]
4,4'-(Isopropylidenedithio)bis[2,6-di-tert-butylphenol]
4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol)
4,4'-[(1-Methylethylidene)bis(thio)]bis-[2,6-bis(1,1-dimethylethyl)phenol]
Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole
Acetone, bis (3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole
Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole
Lesterol; Lorelco; Lurselle; Serterol; Superlipid
Phenol, 4,4'-((1-methylethylidene)bis(thio))bis(2,6-bis(1,1-dimethylethyl))-
Phenol, 4,4'-((1-methylethylidene)bis(thio))bis(2,6-bis(1,1-dimethylethyl)-
Phenol, 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 9.46 | 15.79 | -5.38 | 2 | 2 | 0 | 40 | 516.857 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.18e-05 g/l | DrugBank-approved |
| Therapy | antihyperlipidemic | SMDC Iconix |
| Target | Others | Selleck Chemicals |
| UniProt Database Links | PSA2_HUMAN; PSA3_HUMAN; PSA4_HUMAN | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102222-1-O | Plasma (cluster #1 Of 1), Other | Other | 1300 | 0.24 | Functional ≤ 10μM |
| Z102352-1-O | Plasma (cluster #1 Of 3), Other | Other | 3600 | 0.22 | Functional ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 5300 | 0.21 | Functional ≤ 10μM |
| Z50590-1-O | Sus Scrofa (cluster #1 Of 1), Other | Other | 500 | 0.25 | Functional ≤ 10μM |
| Z81011-1-O | Human Cell Lines (cluster #1 Of 3), Other | Other | 2800 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50587 | Z50587 | Homo Sapiens | 5300 | 0.21 | Functional ≤ 10μM |
| Z81011 | Z81011 | Human Cell Lines | 2800 | 0.22 | Functional ≤ 10μM |
| Z102352 | Z102352 | Plasma | 3600 | 0.22 | Functional ≤ 10μM |
| Z102222 | Z102222 | Plasma | 1300 | 0.24 | Functional ≤ 10μM |
| Z50590 | Z50590 | Sus Scrofa | 500 | 0.25 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.