CHEMBL1935574


SMILES Nc1nc(N2CCNCC2)c2ccc(-c3ccco3)cc2n1
InChIKey UBEJREHBDACTGD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 295.1

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
H1 HRH1 Mouse Histamine A pKi 5.48 5.48 5.48 ChEMBL
H4 HRH4 Mouse Histamine A pKi 7.64 7.64 7.64 ChEMBL
H1 HRH1 Rat Histamine A pKi 5.44 5.44 5.44 ChEMBL
H4 HRH4 Rat Histamine A pKi 6.76 6.76 6.76 ChEMBL
H3 HRH3 Mouse Histamine A pKi 5.97 5.97 5.97 ChEMBL
H3 HRH3 Rat Histamine A pKi 5.59 5.59 5.59 ChEMBL
H4 HRH4 Human Histamine A pKi 7.8 7.92 8.15 ChEMBL
H4 HRH4 Human Histamine A pKd 7.39 7.39 7.39 ChEMBL
H1 HRH1 Human Histamine A pKi 4.98 4.98 4.98 ChEMBL
H3 HRH3 Human Histamine A pKi 5.47 5.47 5.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pIC50 6.97 6.97 6.97 ChEMBL