NNC 11-1585


SMILES C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2
InChIKey ROEXPZFFOZZHOY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 572.2

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 Human Histamine A pKi 6.73 6.73 6.73 Guide to Pharmacology
H4 HRH4 Human Histamine A pKi 8.31 8.31 8.31 Guide to Pharmacology
H4 HRH4 Mouse Histamine A pKi 7.26 7.54 7.68 ChEMBL
H4 HRH4 Rat Histamine A pKi 7.26 7.69 7.91 ChEMBL
H3 HRH3 Human Histamine A pKi 6.73 6.73 6.73 ChEMBL
H4 HRH4 Human Histamine A pKi 7.99 8.41 8.81 ChEMBL
H4 HRH4 Human Histamine A pKd 7.6 7.6 7.6 ChEMBL
H4 Q91ZY3 Guinea pig Histamine A pKi 6.91 6.91 6.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pIC50 7.27 8.41 9.19 ChEMBL