CHEMBL3354065


SMILES CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1
InChIKey PHMGZAICAOYEAF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 328.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6ZFZ 8JIM 8HQM
Ligand site mutations M1 M2

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.27 5.27 5.27 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.68 6.68 6.68 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 4.32 4.32 4.32 ChEMBL
D4 DRD4 Human Dopamine A pKi 9.01 9.01 9.01 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.69 6.69 6.69 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 4.36 4.36 4.36 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.5 6.5 6.5 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.21 6.21 6.21 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.17 6.17 6.17 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.92 5.92 5.92 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 4.32 5.46 6.75 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pEC50 6.56 6.56 6.56 ChEMBL
D4 DRD4 Human Dopamine A pIC50 6.93 7.58 8.22 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 6.08 6.85 7.46 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.8 6.28 6.76 ChEMBL