CHEMBL4217398


SMILES CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1
InChIKey JQWQITMAQMBUDN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 16
Molecular weight (Da) 797.4

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
H2 HRH2 Human Histamine A pKi 6.08 6.08 6.08 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.63 5.63 5.63 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.28 5.28 5.28 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.56 5.56 5.56 ChEMBL
H3 HRH3 Human Histamine A pKi 5.56 5.56 5.56 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.1 5.1 5.1 ChEMBL
κ OPRK Human Opioid A pKi 5.39 5.39 5.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Human P2Y A pIC50 6.88 6.88 6.88 ChEMBL