CHEMBL4650570


SMILES Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCc1c[nH]cn1
InChIKey GRLCUZJIBOAWSM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 401.3

Drug properties

Molecular type Small molecule
Physiological/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 7.18 7.29 7.51 ChEMBL
H4 HRH4 Human Histamine A pKi 7.85 7.85 7.85 ChEMBL
H4 HRH4 Human Histamine A pKd 7.38 7.72 8.04 ChEMBL
H2 HRH2 Human Histamine A pKi 5.45 5.45 5.45 ChEMBL
H3 HRH3 Human Histamine A pKd 8.33 8.64 8.87 ChEMBL
H3 HRH3 Human Histamine A pKi 8.6 8.6 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Mouse Histamine A pEC50 7.3 7.3 7.3 ChEMBL
H4 HRH4 Mouse Histamine A pIC50 7.08 7.08 7.08 ChEMBL
H4 HRH4 Human Histamine A pIC50 7.81 8.29 8.76 ChEMBL
H3 HRH3 Human Histamine A pEC50 8.77 8.77 8.77 ChEMBL