| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 35 | Yes |
(RS)-1-(4-tert-butylphenyl)-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}-butan-1-ol
.alpha.-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenyl-methyl)-1-piperidine butanol
1-(4-tert-Butylphenyl)-4-(4-(alpha-hydroxybenzhydryl)piperidino)-butan-1-ol
1-(4-tert-butylphenyl)-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-ol
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
1-(p-tert-Butylphenyl)-4-(4'-(alpha-hydroxydiphenylmethyl)-1'-piperidyl)butanol
1-Piperidinebutanol, .alpha.-[4-(1,1-dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-
1-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-
1-[4-(1,1-dimethylethyl)phenyl]-4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}butan-1-ol
1-[4-(tert-butyl)phenyl]-4-{4-[hydroxy(diphenyl)methyl]piperidino}butan-1-ol
50679-08-8; C07463; Terfenadine
50679-08-8; D00521; Seldane (TN); Terfenadine (JAN/USAN/INN)
50679-08-8; Prestwick_460; Terfenadine
alpha-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperdinebutanol
alpha-(4-(1,1-Dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
alpha-(4-[1,1-Dimethylethyl]phenyl)-4-[hydroxydiphenylmethyl]-1-piperidinebutanol
alpha-(p-tert-Butylphenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
alpha-[4-(1,1-dimethylethyl)phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinebutanol
Cantabria Brand of Terfenadine
ct Arzneimittel Brand of Terfenadine
ct-Arzneimittel Brand of Terfenadine
Dolorgiet Brand of Terfenadine
Merck dura Brand of Terfenadine
Mundipharma Brand of Terfenadine
ratiopharm Brand of Terfenadine
Sigma Tau Brand of Terfenadine
Sigma-Tau Brand of Terfenadine
Stadapharm Brand of Terfenadine
| 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) | 6.17 | 14.46 | -42.32 | 3 | 3 | 1 | 45 | 472.693 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.58e-04 g/l | DrugBank-withdrawn |
| Therapy | H1 antihistamine, nonsedating | SMDC Iconix |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-3-E | Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic | Eukaryotes | 2900 | 0.22 | Binding ≤ 10μM |
| ADA1A-3-E | Alpha-1a Adrenergic Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2340 | 0.23 | Binding ≤ 10μM |
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2340 | 0.23 | Binding ≤ 10μM |
| ADA1D-1-E | Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2340 | 0.23 | Binding ≤ 10μM |
| CP2J2-1-E | Cytochrome P450 2J2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8100 | 0.20 | Binding ≤ 10μM |
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 94 | 0.28 | Binding ≤ 10μM |
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 6700 | 0.21 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 563 | 0.25 | Functional ≤ 10μM |
| KCNH2-2-E | HERG (cluster #2 Of 2), Eukaryotic | Eukaryotes | 204 | 0.27 | Functional ≤ 10μM |
| MDR1-1-E | P-glycoprotein 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1400 | 0.23 | Functional ≤ 10μM |
| CP3A4-2-E | Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 320 | 0.26 | ADME/T ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5012 | 0.21 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 4950 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 128.824955 | 0.28 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 295 | 0.26 | Binding ≤ 1μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 2340 | 0.23 | Binding ≤ 10μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 2340 | 0.23 | Binding ≤ 10μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 2340 | 0.23 | Binding ≤ 10μM |
| CP2J2_HUMAN | P51589 | Cytochrome P450 2J2, Human | 8100 | 0.20 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 128.824955 | 0.28 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 295 | 0.26 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 2900 | 0.22 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 204 | 0.27 | Functional ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 563 | 0.25 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 3960 | 0.22 | Functional ≤ 10μM |
| MDR1_HUMAN | P08183 | P-glycoprotein 1, Human | 1100 | 0.24 | Functional ≤ 10μM |
| MDR1_MOUSE | P06795 | P-glycoprotein 1, Mouse | 2000 | 0.23 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1995.26231 | 0.23 | Functional ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 320 | 0.26 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Abacavir transmembrane transport | |
| ABC-family proteins mediated transport | |
| Adrenoceptors | |
| Aflatoxin activation and detoxification | |
| Fatty acids | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| Histamine receptors | |
| Muscarinic acetylcholine receptors | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Voltage gated Potassium channels | |
| Xenobiotics |
