CHEMBL4650832


SMILES Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCCc1c[nH]cn1
InChIKey JECYYTFAWYJNHN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 415.3

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
H4 HRH4 Mouse Histamine A pKd 6.79 6.8 6.81 ChEMBL
H4 HRH4 Human Histamine A pKd 7.1 7.11 7.11 ChEMBL
H4 HRH4 Human Histamine A pKi 7.47 7.47 7.47 ChEMBL
H2 HRH2 Human Histamine A pKi 5.74 5.74 5.74 ChEMBL
H3 HRH3 Human Histamine A pKd 8.94 8.97 9.01 ChEMBL
H3 HRH3 Human Histamine A pKi 9.04 9.04 9.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pEC50 7.14 7.17 7.19 ChEMBL