ORPHENADRINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII UBY910DUXH
EPA CompTox DTXSID5025815
Parent Compound: ORPHENADRINE

Structure

InChI Key UQZKYYIKWZOKKD-UHFFFAOYSA-N
Smiles Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl
InChI
InChI=1S/C18H23NO.ClH/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;/h4-12,18H,13-14H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24ClNO
Molecular Weight 305.85
AlogP 3.66
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Glutamate [NMDA] receptor antagonist ANTAGONIST PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Plasmodium falciparum
- 630.96 - - -

Target Conservation

Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2D
Organism : Homo sapiens
O15399 ENSG00000105464
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 3B
Organism : Homo sapiens
O60391 ENSG00000116032
Protein: Norepinephrine transporter
Description: Sodium-dependent noradrenaline transporter
Organism : Homo sapiens
P23975 ENSG00000103546
Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 1 subunit alpha
Organism : Homo sapiens
P35498 ENSG00000144285
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 4 subunit alpha
Organism : Homo sapiens
P35499 ENSG00000007314
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 1
Organism : Homo sapiens
Q05586 ENSG00000176884
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2A
Organism : Homo sapiens
Q12879 ENSG00000183454
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2B
Organism : Homo sapiens
Q13224 ENSG00000273079
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 2C
Organism : Homo sapiens
Q14957 ENSG00000161509
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 9 subunit alpha
Organism : Homo sapiens
Q15858 ENSG00000169432
Protein: Glutamate [NMDA] receptor
Description: Glutamate receptor ionotropic, NMDA 3A
Organism : Homo sapiens
Q8TCU5 ENSG00000198785
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 2 subunit alpha
Organism : Homo sapiens
Q99250 ENSG00000136531
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 3 subunit alpha
Organism : Homo sapiens
Q9NY46 ENSG00000153253
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 11 subunit alpha
Organism : Homo sapiens
Q9UI33 ENSG00000168356
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 8 subunit alpha
Organism : Homo sapiens
Q9UQD0 ENSG00000196876
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 10 subunit alpha
Organism : Homo sapiens
Q9Y5Y9 ENSG00000185313

Cross References

Resources Reference
ChEBI 60902
ChEMBL CHEMBL1201023
FDA SRS UBY910DUXH
Guide to Pharmacology 7251
KEGG C07935
PubChem 9568
SureChEMBL SCHEMBL1235378
ZINC ZINC00155269
CONTENTS