CHEMBL5631402


SMILES OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(N[C@@H](C4CCC4)C4CC4)nc(I)nc31)[C@H](O)[C@@H]2O
InChIKey NRMMOPXCAHUSCA-OHTVDBCQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 511.1

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
H1 HRH1 Human Histamine A pKi 5.68 5.68 5.68 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.76 7.76 7.76 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.26 6.26 6.26 ChEMBL
A1 AA1R Human Adenosine A pKi 7.19 7.19 7.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database