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 8HQM 8JIM
Ligand site mutations M1 M2

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
α1D ADA1D Human Adrenoceptors A pKi 6.0 6.0 6.0 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
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.92 5.92 5.92 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
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