| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2008 | 13 | Yes |
Popular Name: Memantine hydrochloride Memantine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 19982-08-2 , 41100-52-1 , [41100-52-1]
(3,5-Dimethyl-1-adamantyl)amine
(3,5-Dimethyl-1-adamantyl)amine hydrochloride
1,3-Dimethyl-5-aminoadamantane hydrochloride, 99%
1-Amino-3,5-dimethyladamantane
19982-08-2; D08174; Exiba (TN); Memantine (INN)
3,5-Dimethyl-1-adamantanamine hydrochloride
3,5-Dimethyl-1-aminoadamantane
3,5-Dimethyl-1-aminoadamantane hydrochloride
3,5-Dimethyladamantan-1-amine hydrochloride
3,5-Dimethyladamantan-1-ylamine
3,5-Dimethyltricyclo(3.3.1.1(3,7))decan-1-amine
3,5-dimethyltricyclo[3.3.1.1~3,7~]decan-1-amine
41100-52-1; CPD000875213; Memantine hydrochloride; SAM002699890
41100-52-1; D04905; Memantine hydrochloride (JAN/USAN); Memary (TN); Namenda (TN)
CPD000058926; MEMANTINE HYDROCHLORIDE
CPD000875213; Memantine hydrochloride; SAM002699890
DIMETHYLADAMANTYLAMINEHYDROCHLORID
Memantina [INN-Spanish];Memantine [INN];Memantinum [INN-Latin]
memantina; memantine; memantinum
Memantine hydrochloride (Namenda)
MI); Memantine Hydrochloride (FDA
Tricyclo(3.3.1.1(3,7))decan-1-amine, 3,5-dimethyl-
tricyclo[3.3.1.1~3,7~]decan-1-amine, 3,5-dimethyl-
tricyclo[3.3.1.1~3,7~]decan-1-amine, 3,5-dimethyl-, 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) | 2.77 | 4.76 | -42.23 | 3 | 1 | 1 | 28 | 180.315 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 292 | TCI |
| ALOGPS_SOLUBILITY | 4.55e-02 g/l | DrugBank-approved |
| Target | AMPA Receptor-kainate Receptor-NMDA Receptor | Selleck Chemicals |
| Therapy | Antagonist of NMDA glutamate receptors; stimulates dopamine release | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0434173A3; EP0516795A1; EP0516795B1; EP0527540A1; EP0582186A1; EP0582186B1; EP0648117B1; EP0661973A1; EP0737066A1; EP0770068A1; EP0778770A1; EP0797442A1; EP0813416A1; EP0845984A1; EP0845989A2; EP0869791A1; EP0869792A2; EP0870757A3; EP0904777A1; EP093241 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| therap | muscle relaxant (skeletal) | MicroSource Spectrum |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : MZ-3007; NCC_SUPPLIER_SAMPLE_COMMENTS : FINE WHITE POWDER; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| UniProt Database Links | S22A2_HUMAN; S22A2_MOUSE; S22A2_PIG; S22A2_PONAB; S22A2_RABIT; S22A2_RAT | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: MZ-3007; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: FINE WHITE POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMD3A-2-E | Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic | Eukaryotes | 540 | 0.67 | Binding ≤ 10μM |
| NMD3B-2-E | Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic | Eukaryotes | 540 | 0.67 | Binding ≤ 10μM |
| NMDE1-2-E | Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 540 | 0.67 | Binding ≤ 10μM |
| NMDE2-4-E | Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 540 | 0.67 | Binding ≤ 10μM |
| NMDE3-4-E | Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 540 | 0.67 | Binding ≤ 10μM |
| NMDE4-2-E | Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 540 | 0.67 | Binding ≤ 10μM |
| NMDZ1-2-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 9520 | 0.54 | Binding ≤ 10μM |
| Z104297-3-O | Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #3 Of 3), Other | Other | 5500 | 0.57 | Binding ≤ 10μM |
| Z104298-2-O | Glutamate NMDA Receptor; GRIN1/GRIN2A (cluster #2 Of 2), Other | Other | 5600 | 0.57 | Binding ≤ 10μM |
| Z104297-1-O | Glutamate NMDA Receptor; GRIN1/GRIN2B (cluster #1 Of 1), Other | Other | 1020 | 0.65 | Functional ≤ 10μM |
| Z104298-1-O | Glutamate NMDA Receptor; GRIN1/GRIN2A (cluster #1 Of 1), Other | Other | 911 | 0.65 | Functional ≤ 10μM |
| Z50425-6-O | Plasmodium Falciparum (cluster #6 Of 22), Other | Other | 1585 | 0.62 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NMDZ1_HUMAN | Q05586 | Glutamate (NMDA) Receptor Subunit Zeta 1, Human | 540 | 0.67 | Binding ≤ 1μM |
| NMD3A_HUMAN | Q8TCU5 | Glutamate [NMDA] Receptor Subunit 3A, Human | 540 | 0.67 | Binding ≤ 1μM |
| NMD3B_HUMAN | O60391 | Glutamate [NMDA] Receptor Subunit 3B, Human | 540 | 0.67 | Binding ≤ 1μM |
| NMDE1_HUMAN | Q12879 | Glutamate [NMDA] Receptor Subunit Epsilon 1, Human | 540 | 0.67 | Binding ≤ 1μM |
| NMDE2_HUMAN | Q13224 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Human | 540 | 0.67 | Binding ≤ 1μM |
| NMDE3_HUMAN | Q14957 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Human | 540 | 0.67 | Binding ≤ 1μM |
| NMDE3_RAT | Q00961 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Rat | 700 | 0.66 | Binding ≤ 1μM |
| NMDE4_HUMAN | O15399 | Glutamate [NMDA] Receptor Subunit Epsilon 4, Human | 540 | 0.67 | Binding ≤ 1μM |
| NMDZ1_HUMAN | Q05586 | Glutamate (NMDA) Receptor Subunit Zeta 1, Human | 540 | 0.67 | Binding ≤ 10μM |
| Z104298 | Z104298 | Glutamate NMDA Receptor; GRIN1/GRIN2A | 5600 | 0.57 | Binding ≤ 10μM |
| Z104297 | Z104297 | Glutamate NMDA Receptor; GRIN1/GRIN2B | 5500 | 0.57 | Binding ≤ 10μM |
| NMD3A_HUMAN | Q8TCU5 | Glutamate [NMDA] Receptor Subunit 3A, Human | 540 | 0.67 | Binding ≤ 10μM |
| NMD3B_HUMAN | O60391 | Glutamate [NMDA] Receptor Subunit 3B, Human | 540 | 0.67 | Binding ≤ 10μM |
| NMDE1_HUMAN | Q12879 | Glutamate [NMDA] Receptor Subunit Epsilon 1, Human | 540 | 0.67 | Binding ≤ 10μM |
| NMDE2_HUMAN | Q13224 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Human | 540 | 0.67 | Binding ≤ 10μM |
| NMDE3_HUMAN | Q14957 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Human | 540 | 0.67 | Binding ≤ 10μM |
| NMDE3_RAT | Q00961 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Rat | 700 | 0.66 | Binding ≤ 10μM |
| NMDE4_HUMAN | O15399 | Glutamate [NMDA] Receptor Subunit Epsilon 4, Human | 540 | 0.67 | Binding ≤ 10μM |
| Z104298 | Z104298 | Glutamate NMDA Receptor; GRIN1/GRIN2A | 911 | 0.65 | Functional ≤ 10μM |
| Z104297 | Z104297 | Glutamate NMDA Receptor; GRIN1/GRIN2B | 1020 | 0.65 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1000 | 0.65 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| CREB phosphorylation through the activation of CaMKII | |
| EPHB-mediated forward signaling | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Unblocking of NMDA receptor, glutamate binding and activation |
