| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 20 | Yes |
Popular Name: Orphenadrine citrate Orphenadrine citrate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1309283-23-5 , 341-69-5 , 4682-36-4 , 4682-36-4, 83-98-7 [orphe , 4682-36-4, 83-98-7 [orphenadrine] , 83-98-7 , [4682-36-4]
2-(Phenyl-o-tolylmethoxy)ethyldimethylamine
2-hydroxypropane-1,2,3-tricarboxylic acid; dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine
341-69-5; D02599; Disipal (TN); Orphenadrine hydrochloride
341-69-5; Orphenadrine hydrochloride; Prestwick_663
4-06-00-04727 (Beilstein Handbook Reference)
4682-36-4; CPD000058817; Norflex; SAM002554918
4682-36-4; D00774; Norflex (TN); Orphenadrine citrate (USP)
83-98-7; D08305; Mialgin (TN); Orphenadrine (INN)
Banflex; Flexon; Norflex; X-Otag
beta-Dimethylaminoethyl 2-methylbenzhydryl ether
beta-Dimethylaminoethyl-2-methylbenzhydryl ether
CPD000058817; Norflex; SAM002554918
Ethanamine, N,N-dimethyl-2-((2-methylphenyl)phenylmethoxy)-
Ethanamine, N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]-
Ethylamine, N,N-dimethyl-2-((o-methyl-alpha-phenylbenzyl)oxy)-
INN); Orphenadrine HCl (FDA); Orphenadrine Citrate (FDA
INN); Orphenadrine Hydrochloride (FDA)
N,N-Dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamin
N,N-dimethyl-2-(alpha-2-tolylbenzoyloxy)ethylamine
N,N-Dimethyl-2-(o-methyl-alpha-phenylbenzyl)oxy)ethylamine
N,N-Dimethyl-2-(phenyl(o-tolyl)methoxy)ethanamine 2-hydroxypropane-1,2,3-tricarboxylate
N,N-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanamine
N,N-dimethyl-2-[(2-methylphenyl)-phenylmethoxy]ethanamine
N,N-Dimethyl-2-[(o-methyl-alpha-phenylbenzyl)oxy]ethylamine
N,N-dimethyl-2-{[(2-methylphenyl)(phenyl)methyl]oxy}ethanamine
orfenadrina; orphenadrine; orphenadrinum
Orphenadrine citrate (Norflex)
Orphenadrine, Orphenadrine (Citrate)
| 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) | 3.90 | 10.89 | -34.42 | 1 | 2 | 1 | 14 | 270.396 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 4.778 | Bitter DB |
| MP | 137 - 139 | Enamine Building Blocks |
| MP | 137...139 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 3.00e-02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Target | AChR | Selleck Chemicals |
| Therapy | muscle relaxant (skeletal), antihistaminic | SMDC Iconix |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : O-3697; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 citric acid | NIH Clinical Collection via PubChem |
| Indications | pain management, parkinsons | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: O-3697; SALT: 1 citric acid; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2-5-E | HERG (cluster #5 Of 5), Eukaryotic | Eukaryotes | 851 | 0.42 | Binding ≤ 10μM |
| NMD3A-3-E | Glutamate [NMDA] Receptor Subunit 3A (cluster #3 Of 6), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
| NMD3B-3-E | Glutamate [NMDA] Receptor Subunit 3B (cluster #3 Of 6), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
| NMDE1-2-E | Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
| NMDE2-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
| NMDE3-1-E | Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
| NMDE4-3-E | Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
| NMDZ1-2-E | Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
| Z50425-9-O | Plasmodium Falciparum (cluster #9 Of 22), Other | Other | 631 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCNH2_HUMAN | Q12809 | HERG, Human | 851.138038 | 0.42 | Binding ≤ 1μM |
| NMDZ1_HUMAN | Q05586 | Glutamate (NMDA) Receptor Subunit Zeta 1, Human | 6000 | 0.37 | Binding ≤ 10μM |
| NMD3A_HUMAN | Q8TCU5 | Glutamate [NMDA] Receptor Subunit 3A, Human | 6000 | 0.37 | Binding ≤ 10μM |
| NMD3B_HUMAN | O60391 | Glutamate [NMDA] Receptor Subunit 3B, Human | 6000 | 0.37 | Binding ≤ 10μM |
| NMDE1_HUMAN | Q12879 | Glutamate [NMDA] Receptor Subunit Epsilon 1, Human | 6000 | 0.37 | Binding ≤ 10μM |
| NMDE2_HUMAN | Q13224 | Glutamate [NMDA] Receptor Subunit Epsilon 2, Human | 6000 | 0.37 | Binding ≤ 10μM |
| NMDE3_HUMAN | Q14957 | Glutamate [NMDA] Receptor Subunit Epsilon 3, Human | 6000 | 0.37 | Binding ≤ 10μM |
| NMDE4_HUMAN | O15399 | Glutamate [NMDA] Receptor Subunit Epsilon 4, Human | 6000 | 0.37 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 851.138038 | 0.42 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.39 | 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 | |
| Voltage gated Potassium channels |
