CHEMBL4544086


SMILES COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1
InChIKey UDYXSPVICNNUPJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 491.3

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 6.0 6.0 6.0 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.8 8.8 8.8 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.07 6.07 6.07 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 4.43 4.43 4.43 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 4.77 4.77 4.77 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.44 6.44 6.44 ChEMBL
D4 DRD4 Human Dopamine A pKi 9.26 9.26 9.26 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 4.82 4.82 4.82 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.35 5.35 5.35 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.47 7.47 7.47 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.89 6.89 6.89 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.51 6.51 6.51 ChEMBL
δ OPRD Human Opioid A pKi 4.72 4.72 4.72 ChEMBL
κ OPRK Human Opioid A pKi 5.37 5.37 5.37 ChEMBL
μ OPRM Human Opioid A pKi 5.64 5.64 5.64 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.85 6.9 6.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D4 DRD4 Human Dopamine A pIC50 6.21 6.21 6.21 ChEMBL
D4 DRD4 Human Dopamine A pEC50 6.3 6.84 7.39 ChEMBL