CHEMBL4072818


SMILES O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
InChIKey YCGXHEJETHPGPD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 362.2

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
α1B ADA1B Human Adrenoceptors A pKi 6.65 6.65 6.65 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.52 6.52 6.52 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.43 5.43 5.43 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.14 6.14 6.14 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 4.99 4.99 4.99 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.52 5.52 5.52 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.9 8.9 8.9 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.59 6.59 6.59 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.1 6.1 6.1 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.02 5.02 5.02 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.44 6.44 6.44 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.74 5.74 5.74 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.07 5.49 5.91 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pEC50 6.83 6.83 6.83 ChEMBL
D4 DRD4 Human Dopamine A pIC50 6.24 6.5 6.77 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.58 5.75 5.92 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 6.73 6.73 6.73 ChEMBL