TRIPELENNAMINE CITRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 30OC46A3J9
EPA CompTox DTXSID8045989

Structure

InChI Key GGRBYIUPUOYRLQ-UHFFFAOYSA-N
Smiles CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/C16H21N3.C6H8O7/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29N3O7
Molecular Weight 447.49
AlogP 2.65
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 19.37
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed
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
- - - - 81.25-93.75
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 81.25-93.75

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

Resources Reference
ChEMBL CHEMBL1200769
FDA SRS 30OC46A3J9
PubChem 197066
SureChEMBL SCHEMBL99166
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