Synonyms
Status
Molecule Category Mixture
UNII 7ENI812SZS

Structure

InChI Key QIQWRCNAPQJQLL-COALEZEGSA-N
Smiles CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C14H20N2.C4H4O4/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13;5-3(6)1-2-4(7)8/h9-12H,5,7-8H2,1-3H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,12-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24N2O4
Molecular Weight 332.4
AlogP 3.34
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 28.68
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Histamine H3 receptor agonist AGONIST PubMed PubMed PubMed

Target Conservation

Protein: Histamine H3 receptor

Description: Histamine H3 receptor

Organism : Homo sapiens

Q9Y5N1 ENSG00000101180

Cross References

Resources Reference
ChEMBL CHEMBL2106003
FDA SRS 7ENI812SZS
PubChem 6450822