CHEMBL4085780


SMILES O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1
InChIKey ABOBMBIQQPJTMJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 349.2

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 7.13 7.13 7.13 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.04 7.04 7.04 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 4.56 4.56 4.56 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.03 5.03 5.03 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 4.49 4.49 4.49 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 4.75 4.75 4.75 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.54 8.54 8.54 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 4.78 4.78 4.78 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 4.45 4.45 4.45 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.37 5.37 5.37 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.88 5.88 5.88 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.96 5.96 5.96 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.27 7.27 7.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 4.92 4.92 4.92 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pEC50 6.23 6.23 6.23 ChEMBL
D4 DRD4 Human Dopamine A pIC50 8.01 8.57 9.14 ChEMBL
D4 DRD4 Human Dopamine A pEC50 9.8 9.8 9.8 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 6.08 6.08 6.08 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 6.19 6.19 6.19 ChEMBL