| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 23 | Yes |
Popular Name: 1,1-Diphenyl-4-(piperidin-1-yl)butan-1-ol hydrochloride 1,1-Diphenyl-4-(piperidin-1-yl)b…
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CAS Numbers: 150969-57-6 , 3254-89-5 , 972-02-1 , [972-02-1]
1,1-Diphenyl-4-(piperidin-1-yl)butan-1-ol
1,1-diphenyl-4-piperidin-1-ylbutan-1-ol
1,1-diphenyl-4-piperidin-1-ylbutan-1-ol hydrochloride
1,1-Diphenyl-4-piperidino-1-butanol Hydrochloride
1,1-Diphenyl-4-piperidino-1-butanolHydrochloride
1-Piperidinebutanol, .alpha.,.alpha.-diphenyl-
1-Piperidinebutanol, alpha,alpha-diphenyl-
1H-INDENE-5-CARBOXYLIC ACID,2,3-DIHYDRO-3-OXO-,ETH
1H-INDENE-5-CARBOXYLIC ACID,2,3-DIHYDRO-3-OXO-,ETHYL ESTER
2-hydrazinobenzenesulfonic acid
2-hydrazinylbenzenesulfonic acid
3254-89-5; Diphenidol hydrochloride; Prestwick_886
972-02-1; D03858; Diphenidol (USAN/INN)
alpha,alpha-Diphenyl-1-piperidinebutanol
Benzhydrol, alpha-(3-piperidinopropyl)-
Difenidol HCl (JAN); Difenidol (BAN
Difenidol;Difenidolo [DCIT];Difenidolum [INN-Latin]
Diphenidol; Diphenyl(3-(1-piperidyl)propyl)carbinol; alpha,alpha-Diphenyl-1-piperidinebutanol
Diphenyl(3-(1-piperidyl)propyl)carbinol
FDA); Diphenidol Pamoate (USAN)
INN); Difenidol HCl (JAN); Diphenidol (USAN); Diphenidol HCl (FDA
INN); Diphenidol (USAN); Diphenidol HCl (USAN
INN); Diphenidol Hydrochloride (FDA
SK&F-478; SK-478; SK&F-478A; SK-478-A; SK&F-478-J
USAN); Difenidol Hydrochloride (JAN); Diphenidol (USAN); Diphenidol Pamoate (USAN)
| 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) | 3.78 | 10.73 | -37.57 | 2 | 2 | 1 | 25 | 310.461 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 5.607 | Bitter DB |
| ALOGPS_SOLUBILITY | 5.87e-03 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| Target | AChR | Selleck Chemicals |
| Patent Database Links | EP1661560; US2004254182; US2006040900; WO2005099702; WO2007109142 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A-2-E | Sodium Channel Protein Type I Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3400 | 0.33 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3400 | 0.33 | Binding ≤ 10μM |
| SCN3A-2-E | Sodium Channel Protein Type III Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3400 | 0.33 | Binding ≤ 10μM |
| SCN8A-2-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3400 | 0.33 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 3400 | 0.33 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 3400 | 0.33 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 3400 | 0.33 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 3400 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
