| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 21 | No |
Popular Name: Maprotiline hydrochloride Maprotiline hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10262-69-8 , 10347-81-6 , 10347-81-6, 10262-69-8 (m , 10347-81-6, 10262-69-8 (maprotiline) , [10262-69-8]
10262-69-8; C07107; Maprotiline
10262-69-8; D02566; Maprotiline (USAN)
10347-81-6; D00818; Ludiomil (TN); Maprotiline hydrochloride (JP16/USP)
10347-81-6; Maprotiline hydrochloride; Prestwick_749
3-(9,10-Dihydro-9,10-ethanoanthracen-9-yl)-N-methylpropan-1-amine
3-(9,10-Dihydro-9,10-ethanoanthracen-9-yl)propylmethylamine
3-(9,10-ethanoanthracen-9(10H)-yl)-N-methylpropan-1-amine
9,10-Ethanoanthracene-9(10H)-propanamine, N-methyl-
9,10-Ethanoanthracene-9(10H)-propylamine, N-methyl-
CPD000148117; Maprotiline hydrochloride; SAM001246989
CPD000148117; Maprotilline HCl; 10347-81-6
CPD000148117; Maprotilline HCl; SAM001246989
Maprotilina [INN-Spanish];Maprotilinum [INN-Latin];Maprotylina [Polish]
Maprotiline, Ludiomil Hydrochloride
N-Methyl-9,10-ethanoanthracene-9(10H)-propanamine
N-Methyl-9,10-ethanoanthracene-9(10H)-propylamine
| 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) | 4.01 | 10.79 | -44.88 | 2 | 1 | 1 | 17 | 278.419 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.50e-04 g/l | DrugBank-approved |
| Therapy | antidepressant | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0046136A2; EP0107134A1; EP0164311A2; EP0164311B1; EP0174342A1; EP0190969A2; EP0190969B1; EP0200213A2; EP0200213B1; EP0208617A1; EP0238765A2; EP0242589A2; EP0248548A2; EP0248548B1; EP0251459A2; EP0251459B1; EP0280290B1; EP0293351A2; EP0293351B1; EP029371 | IBM Patent Data |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100747; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | Reuptake inhibitor | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100747; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 402 | 0.43 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 504 | 0.42 | Binding ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 429 | 0.42 | Binding ≤ 10μM |
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.58 | Binding ≤ 10μM |
| SC6A2-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 12 | 0.53 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5012 | 0.35 | Functional ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 665 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 402 | 0.43 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 665 | 0.41 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 504 | 0.42 | Binding ≤ 1μM |
| DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 429 | 0.42 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 1.67 | 0.59 | Binding ≤ 1μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 12 | 0.53 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 402 | 0.43 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 665 | 0.41 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 504 | 0.42 | Binding ≤ 10μM |
| DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 429 | 0.42 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 1.67 | 0.59 | Binding ≤ 10μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 12 | 0.53 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Histamine receptors | |
| Na+/Cl- dependent neurotransmitter transporters |
