| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 20 | Yes |
Popular Name: Protriptyline Protriptyline
1225-55-4; D00484; Protriptyline hydrochloride (USP); Vivactil (TN)
3-(5H-Dibenzo[a,d]cyclohepten-5-yl)-N-methyl-1-propanamine
3-(5H-dibenzo[a,d][7]annulen-5-yl)-N-methylpropan-1-amine
438-60-8; C07408; Protriptyline
438-60-8; D08447; Protriptyline (INN)
5-(3-Methylaminopropyl)-5H-dibenzo(a,d)cycloheptene
5-(3-Methylaminopropyl)-5H-Dibenzo[a,d]cycloheptene
5H-Dibenzo(a,d)cycloheptene-5-propanamine, N-methyl-
5H-Dibenzo(a,d)cycloheptene-5-propylamine, N-methyl-
5H-Dibenzo[a, d]cycloheptene-5-propanamine, N-methyl-, hydrochloride
5H-Dibenzo[a,d]cycloheptene-5-propanamine, N-methyl-
7-(3-Methylaminopropyl)-1,2:5,6-dibenzocycloheptatriene
INN); Protriptyline Hydrochloride (FDA
N-3-(5H-Dibenzo(a,d)cyclohepten-5-yl)propyl-N-methylamine
N-Methyl-5H-dibenzo(a,d)cycloheptene-5-propylamine
N-Methyl-5H-dibenzo[a,d]cycloheptene-5-propanamine
| 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) | 4.17 | 10.6 | -38.24 | 2 | 1 | 1 | 17 | 264.392 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.31e-04 g/l | DrugBank-approved |
| therap | antidepressant | MicroSource Spectrum |
| Patent Database Links | EP1655029; EP1671628; EP1815846; EP1829527; EP1829528; EP1844769; EP1946777; EP1990639; US2004142904; US2004171682; US2005070552; US2005281845; US2006135511; US2006148790; US2006258715; US2006258721; US2007129444; US2007190043; US2007207222; US2007212428 | ChEBI |
| Therapy | Norepinephrine reuptake blocker | SMDC Pharmakon |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R-3-E | Adenosine Receptor A3 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 1 | 0.63 | Binding ≤ 10μM |
| SC6A2-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.56 | Binding ≤ 10μM |
| SCN1A-2-E | Sodium Channel Protein Type I Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.35 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.35 | Binding ≤ 10μM |
| SCN3A-2-E | Sodium Channel Protein Type III Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.35 | Binding ≤ 10μM |
| SCN8A-2-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.35 | Binding ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 5012 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 1.1 | 0.63 | Binding ≤ 1μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 1.4 | 0.62 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 1.1 | 0.63 | Binding ≤ 10μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 1.4 | 0.62 | Binding ≤ 10μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 10000 | 0.35 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 10000 | 0.35 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 10000 | 0.35 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 10000 | 0.35 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events | |
| Interaction between L1 and Ankyrins | |
| Na+/Cl- dependent neurotransmitter transporters |
