Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7ENI812SZS

Structure

InChI Key QIQWRCNAPQJQLL-COALEZEGSA-N
Smile 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

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

Cross References

Resources Reference
ChEMBL CHEMBL2106003
FDA SRS 7ENI812SZS
PubChem 6450822