| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 18 | Yes |
Popular Name: 2-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine 2-Methyl-4-phenyl-1,2,3,4-tetrah…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24526-64-5 , 32795-47-4 , 32795-47-4, 24526-64-5 , 32795-47-4, 24526-64-5 [nomifensine] , [24526-64-5]
(+)-Nomifensine; (+)-Nomiphensine; (R)-1,2,3,4-Tetrahydro-2-methyl-4-phenyl-8-isoquinolinamine
(+-)-1,2,3,4-Tetrahydro-2-methyl-4-phenyl-8-isoquinolinamine
(R)-1,2,3,4-Tetrahydro-2-methyl-4-phenyl-8-isoquinolinamine
2-Methyl-4-phenyl-1,2,3,4-tetrahydro-8-isoquinolinamine
2-Methyl-4-phenyl-1,2,3,4-tetrahydro-8-isoquinolinamine 2-butenedioate
2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine
2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
32795-47-4; D05200; Merital (TN); Nomifensine maleate (USAN)
32795-47-4; Nomifensine maleate; Prestwick_360
8-Amino-1,2,3,4-tetrahydro-2-methyl-4-phenylisochinolin
8-Amino-1,2,3,4-tetrahydro-2-methyl-4-phenylisoquinoline
8-Amino-1,2,3,4-tetrahydro-2-methyl-4-phenylisoquinoline maleate (1:1)
8-Amino-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
8-Isoquinolinamine, 1,2,3,4-tetrahydro-2-methyl-4-phenyl
8-Isoquinolinamine, 1,2,3,4-tetrahydro-2-methyl-4-phenyl-
8-Isoquinolinamine, 1,2,3,4-tetrahydro-2-methyl-4-phenyl- (9CI)
8-ISOQUINOLINAMINE, 1,2,3,4-TETRAHYDRO-2-METHYL-4-PHENYL-, (+-)-
8-ISOQUINOLINAMINE, 1,2,3,4-TETRAHYDRO-2-METHYL-4-PHENYL-, (R)-
INN); Nomifensine Maleate (USAN)
Isoquinoline, 1,2,3,4-tetrahydro-8-amino-2-methyl-4-phenyl-
| 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) | 2.55 | 5.67 | -3.9 | 2 | 2 | 0 | 29 | 238.334 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.18e-01 g/l | DrugBank-withdrawn |
| Purity | 95% | Fluorochem |
| therap | antidepressant, dopamine uptake inhibitor | MicroSource Spectrum |
| Therapy | Dopamine reuptake inhibitor; antidepressant | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0000015A1; EP0023593A1; EP0174242A2; EP0174888A1; EP0273199A2; EP0281121B1; EP0314828B1; EP0400319A1; EP0755454A1; EP1016407A1; US4153697; US4189478; US4278798; US4310524; US4314063; US4315938; US4322423; US4521535; US4549022; US4774248; US4816489; US48 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9WTR4-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.65 | Binding ≤ 10μM |
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 3), Eukaryotic | Eukaryotes | 32 | 0.58 | Binding ≤ 10μM |
| SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 874 | 0.47 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 48 | 0.57 | Functional ≤ 10μM |
| DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 48 | 0.57 | Functional ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 48 | 0.57 | Functional ≤ 10μM |
| DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 48 | 0.57 | Functional ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 48 | 0.57 | Functional ≤ 10μM |
| Q9WTR4-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.63 | Functional ≤ 10μM |
| SC6A3-1-E | Dopamine Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 410 | 0.50 | Functional ≤ 10μM |
| SC6A4-1-E | Serotonin Transporter (cluster #1 Of 1), Eukaryotic | Eukaryotes | 830 | 0.47 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 5), Other | Other | 79 | 0.55 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 2512 | 0.44 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 80 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 23.5 | 0.59 | Binding ≤ 1μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 115 | 0.54 | Binding ≤ 1μM |
| Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 3.8 | 0.65 | Binding ≤ 1μM |
| Z50597 | Z50597 | Rattus Norvegicus | 3.8 | 0.65 | Binding ≤ 1μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 874 | 0.47 | Binding ≤ 1μM |
| SC6A3_HUMAN | Q01959 | Dopamine Transporter, Human | 23.5 | 0.59 | Binding ≤ 10μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 115 | 0.54 | Binding ≤ 10μM |
| Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 3.8 | 0.65 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 3.8 | 0.65 | Binding ≤ 10μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 874 | 0.47 | Binding ≤ 10μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 48 | 0.57 | Functional ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 48 | 0.57 | Functional ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 48 | 0.57 | Functional ≤ 10μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 48 | 0.57 | Functional ≤ 10μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 48 | 0.57 | Functional ≤ 10μM |
| SC6A3_RAT | P23977 | Dopamine Transporter, Rat | 410 | 0.50 | Functional ≤ 10μM |
| Q9WTR4_RAT | Q9WTR4 | Norepinephrine Transporter, Rat | 20 | 0.60 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.44 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 140 | 0.53 | Functional ≤ 10μM |
| SC6A4_RAT | P31652 | Serotonin Transporter, Rat | 5400 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine clearance from the synaptic cleft | |
| Dopamine receptors | |
| G alpha (i) signalling events | |
| Na+/Cl- dependent neurotransmitter transporters |
