METARAMINOL BITARTRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII ZC4202M9P3
Parent Compound: METARAMINOL

Structure

InChI Key VENXSELNXQXCNT-YDYUUSCQSA-N
Smiles C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H19NO8
Molecular Weight 317.29
AlogP 0.77
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 66.48
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Bioactivity

Mechanism of Action Action Reference
Adrenergic receptor alpha-1 agonist AGONIST PubMed
Protein: Adrenergic receptor alpha-1
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873
Protein: Adrenergic receptor alpha-1
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907
Protein: Adrenergic receptor alpha-1
Description: Alpha-1B adrenergic receptor
Organism : Homo sapiens
P35368 ENSG00000170214
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 92
Assay Description Organism Bioactivity Reference
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 98.68 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM Cricetulus griseus 92.1 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 3.02 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 3.633 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.14 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.14 %

Cross References

Resources Reference
ChEMBL CHEMBL2062262
FDA SRS ZC4202M9P3
PubChem 441414
SureChEMBL SCHEMBL5564262
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