| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 22 | Yes |
Popular Name: Terbinafine Hydrochloride Terbinafine Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 100-20-9 , 78628-80-5 , 78628-80-5, 91161-71-6(base) , 91161-71-6 , [100-20-9] , [78628-80-5] , [91161-71-6]
"Terbinafine hydrochloride, 98%"
(2E)-N,6,6-trimethyl-N-(1-naphthylmethyl)-2-hepten-4-yn-1-amine
(2E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
(6,6-dimethylhept-2-en-4-yn-1-yl)methyl(1-naphthylmethyl)amine hydrochloride
(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalene methanamine
(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethanamine monohydrochloride
(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamine
(E)-N-(6,6-dimethyl-2-heptenynyl)-N-methyl-1-naphthalenementhamin hydrochloride
({[(2E)-6,6-Dimethylhept-2-en-4-yn-1-yl](methyl)amino}methyl)naphthalene hydrochloride
1-NAPHTHALENEMETHANAMINE, N-(6,6-DIMETHYL-2-HEPTEN-4-YNYL)-N-METHYL-, (E)-
1-naphthalenemethanamine, N-[(2E)-6,6-dimethyl-2-hepten-4-ynyl]-N-methyl-, hydrochloride
91161-71-6; C08079; Terbinafine
91161-71-6; D02375; Lamasil (TN); Terbinafine (USAN/INN)
CPD-10571; Lamisil; terbinafine
CPD000469152; SAM001246565; TERBINAFINE HCl
CPD000469152; SAM001246565; Terbinafine hydrochloride
Lamisil, Terbinex, Corbinal, Zabel, Terbinafine
N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine hydrochloride
terbinafina; terbinafine; terbinafinum
Terbinafine hydrochloride (Lamisil)
Terbinafine, SF-86-327, Lamisil, TBNF
Terephthaloyl chloride, 99.8%+
trans-N-(6,6-DiMethyl-2-hepten-4-ynyl)-N-Methyl-1-naphthylMethylaMine Hydrochloride
trans-N-(6,6-DiMethyl-2-hepten-4-ynyl)-N-Methyl-1-naphthylMethylaMineHydrochloride
| 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) | 5.72 | 14.12 | -41.75 | 1 | 1 | 1 | 4 | 292.446 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 214 | TCI |
| ALOGPS_SOLUBILITY | 7.38e-04 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Purity | 99% | APIChem |
| Target | Antifection | Selleck Chemicals |
| Indications | Antifungal | KeyOrganics Bioactives |
| UniProt Database Links | CDR2_CANAL; HMDH1_ARATH; HMDH2_ARATH | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01197t; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01197t; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG1-1-E | Squalene Monooxygenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6000 | 0.33 | Binding ≤ 10μM |
| Z102121-3-O | Trichophyton Mentagrophytes (cluster #3 Of 3), Other | Other | 60 | 0.46 | Functional ≤ 10μM |
| Z50046-2-O | Trichophyton Quinckeanum (cluster #2 Of 2), Other | Other | 10 | 0.51 | Functional ≤ 10μM |
| Z50274-2-O | Aspergillus Flavus (cluster #2 Of 2), Other | Other | 300 | 0.42 | Functional ≤ 10μM |
| Z50275-2-O | Aspergillus Niger (cluster #2 Of 2), Other | Other | 700 | 0.39 | Functional ≤ 10μM |
| Z50409-2-O | Kluyveromyces Marxianus (cluster #2 Of 2), Other | Other | 6330 | 0.33 | Functional ≤ 10μM |
| Z50416-1-O | Aspergillus Fumigatus (cluster #1 Of 3), Other | Other | 1100 | 0.38 | Functional ≤ 10μM |
| Z50436-1-O | Filobasidiella Neoformans (cluster #1 Of 3), Other | Other | 500 | 0.40 | Functional ≤ 10μM |
| Z50442-1-O | Candida Albicans (cluster #1 Of 4), Other | Other | 5300 | 0.34 | Functional ≤ 10μM |
| Z50444-1-O | Candida Parapsilosis (cluster #1 Of 2), Other | Other | 400 | 0.41 | Functional ≤ 10μM |
| Z50452-1-O | Trichophyton Rubrum (cluster #1 Of 2), Other | Other | 70 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG1_HUMAN | Q14534 | Squalene Monooxygenase, Human | 30 | 0.48 | Binding ≤ 1μM |
| ERG1_HUMAN | Q14534 | Squalene Monooxygenase, Human | 30 | 0.48 | Binding ≤ 10μM |
| Z50274 | Z50274 | Aspergillus Flavus | 300 | 0.42 | Functional ≤ 10μM |
| Z50416 | Z50416 | Aspergillus Fumigatus | 1000 | 0.38 | Functional ≤ 10μM |
| Z50275 | Z50275 | Aspergillus Niger | 700 | 0.39 | Functional ≤ 10μM |
| Z50442 | Z50442 | Candida Albicans | 2600 | 0.36 | Functional ≤ 10μM |
| Z50444 | Z50444 | Candida Parapsilosis | 400 | 0.41 | Functional ≤ 10μM |
| Z50436 | Z50436 | Filobasidiella Neoformans | 400 | 0.41 | Functional ≤ 10μM |
| Z50409 | Z50409 | Kluyveromyces Marxianus | 6330 | 0.33 | Functional ≤ 10μM |
| Z102121 | Z102121 | Trichophyton Mentagrophytes | 20 | 0.49 | Functional ≤ 10μM |
| Z50046 | Z50046 | Trichophyton Quinckeanum | 10 | 0.51 | Functional ≤ 10μM |
| Z50452 | Z50452 | Trichophyton Rubrum | 20 | 0.49 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis |
