| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 22 | Yes |
Popular Name: Naftifine hydrochloride Naftifine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 65472-88-0 , 65473-14-5 , [65473-14-5]
(2E)-N-methyl-N-(1-naphthylmethyl)-3-phenyl-2-propen-1-amine
(E)-N-Cinnamyl-N-methyl-1-naphthalenemethylamine
(E)-N-Cinnamyl-N-methyl-1-naphthalinmethylamin
(E)-N-Cinnamyl-N-methyl-1-naphthylmethylamin
(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine
1-Naphthalenemethanamine, N-methyl-N-(3-phenyl-2-propenyl)-, (E)-
65472-88-0; D08245; Naftifine (INN)
65473-14-5; C08072; Naftifine hydrochloride
65473-14-5; D00883; Naftifine hydrochloride (USP); Naftin (TN)
INN); Naftifine Hydrochloride (FDA
N-cinnamyl-N-methyl-1-naphthalenemethylamine hydrochloride
N-Methyl-N-(1-naphthyl methyl)-3-phenyl-2-propen-1-amine(E), hydrochloride
N-trans-Cinnamyl-N-methyl-(1-naphthylmethyl)amine Hydrochloride
| 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) | 5.25 | 13.58 | -41.74 | 1 | 1 | 1 | 4 | 288.414 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 177 | TCI |
| ALOGPS_SOLUBILITY | 2.29e-04 g/l | DrugBank-approved |
| Purity | 99% | Fluorochem |
| Therapy | antifungal | SMDC Pharmakon |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP-1-E | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.37 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 880 | 0.39 | Binding ≤ 10μM |
| ERG2-2-F | C-8 Sterol Isomerase (cluster #2 Of 2), Fungal | Fungi | 310 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG2_YEAST | P32352 | C-8 Sterol Isomerase, Yeast | 310 | 0.41 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 880 | 0.39 | Binding ≤ 1μM |
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 1500 | 0.37 | Binding ≤ 10μM |
| ERG2_YEAST | P32352 | C-8 Sterol Isomerase, Yeast | 310 | 0.41 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 880 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cholesterol biosynthesis |
