DISPYRIN


SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
InChIKey MOWCGUQGNSAZSR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 471.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Guinea pig Histamine A pKi 5.99 5.99 5.99 ChEMBL
H3 HRH3 Rat Histamine A pKi 5.98 5.98 5.98 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.56 6.56 6.56 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.16 7.16 7.16 ChEMBL
H3 HRH3 Human Histamine A pKi 5.98 5.98 5.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Guinea pig Histamine A pIC50 5.9 5.9 5.9 ChEMBL
H3 HRH3 Rat Histamine A pIC50 5.63 5.63 5.63 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.25 6.25 6.25 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.73 6.73 6.73 ChEMBL
H3 HRH3 Human Histamine A pIC50 5.63 5.63 5.63 ChEMBL