CHEMBL451821


SMILES CN[C@@H](C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1)C(C)C
InChIKey DFTFGLPAHCOAEP-TVSVWYSMSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 455.4

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
H3 HRH3 Rat Histamine A pKi 8.59 8.59 8.59 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.11 7.11 7.11 ChEMBL
H3 HRH3 Human Histamine A pKi 9.68 9.68 9.68 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.96 7.96 7.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H3 HRH3 Human Histamine A pEC50 8.48 8.48 8.48 ChEMBL