CHEMBL4442460


SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1
InChIKey QAESTHCUZJPQGF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 473.3

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
D5 DRD5 Human Dopamine A pKi 6.47 6.47 6.47 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.77 8.77 8.77 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 4.89 4.89 4.89 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.4 6.4 6.4 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 4.6 4.6 4.6 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 4.85 4.85 4.85 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.7 6.7 6.7 ChEMBL
D4 DRD4 Human Dopamine A pKi 9.6 9.6 9.6 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 4.6 4.6 4.6 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.75 5.75 5.75 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.77 7.77 7.77 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.19 7.19 7.19 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.77 6.77 6.77 ChEMBL
δ OPRD Human Opioid A pKi 5.0 5.0 5.0 ChEMBL
κ OPRK Human Opioid A pKi 5.41 5.41 5.41 ChEMBL
μ OPRM Human Opioid A pKi 5.7 5.7 5.7 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.11 7.12 7.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pIC50 6.35 6.35 6.35 ChEMBL
D4 DRD4 Human Dopamine A pEC50 6.6 7.33 8.06 ChEMBL