| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 25 | Yes |
Popular Name: Prenylamine Prenylamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 390-64-7 , 69-43-2 , [390-64-7]
1-Phenyl-2-(1',1'-diphenylpropyl-3'-amino)propane
3,3-Di(phenyl)propyl-(1-methyl-2-phenyl-ethyl)amine
3,3-Diphenyl-N-(1-phenyl-2-propanyl)-1-propanamine
390-64-7; D02383; Prenylamine (USAN/INN)
69-43-2; Prenylamine lactate; Prestwick_878
INN); Prenylamine Lactate (JAN)
N-(1-Methyl-2-phenylethyl)-3,3-diphenyl-1-propanamine
N-(1-Methyl-2-phenylethyl)-gamma-phenylbenzenepropanamine
N-(3'-Phenyl-2-propyl)-1,1-diphenyl-3-propyloamine
N-(3,3-Diphenylpropyl)-alpha-methylphenaethylamin
N-(3,3-Diphenylpropyl)-alpha-methylphenaethylamin [German]
N-(3,3-Diphenylpropyl)-alpha-methylphenethylamine
| 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) | 5.69 | 14.22 | -39.91 | 2 | 1 | 1 | 17 | 330.495 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.54e-05 g/l | DrugBank-withdrawn |
| PUBCHEM_PATENT_ID | EP0010120A1; EP0013955A1; EP0019069A2; EP0077529A2; EP0105872A1; EP0123850A2; EP0123948A1; EP0124777A1; EP0133252A1; EP0136736A1; EP0166353A2; EP0166353B1; EP0168245A2; EP0173041A1; EP0173990A2; EP0194901A2; EP0204129A2; EP0204951A2; EP0241050A2; EP024105 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 209 | 0.37 | Binding ≤ 10μM |
| CAC1D-2-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 209 | 0.37 | Binding ≤ 10μM |
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.37 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.37 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.37 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 300 | 0.37 | Binding ≤ 1μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 300 | 0.37 | Binding ≤ 1μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 300 | 0.37 | Binding ≤ 1μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 300 | 0.37 | Binding ≤ 1μM |
| CAC1C_RAT | P22002 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat | 209 | 0.37 | Binding ≤ 1μM |
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 209 | 0.37 | Binding ≤ 1μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 300 | 0.37 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 300 | 0.37 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 300 | 0.37 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 300 | 0.37 | Binding ≤ 10μM |
| CAC1C_RAT | P22002 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat | 209 | 0.37 | Binding ≤ 10μM |
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 209 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
