CHEMBL4068702


SMILES CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN3CCCN(c4ccc(O)c5[nH]c(=O)ccc45)CC3)cc2OC)nn1
InChIKey QUFMZNYDEPSZLF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 16
Molecular weight (Da) 645.4

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
D1 DRD1 Human Dopamine A pKi 5.4 5.4 5.4 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.68 5.68 5.68 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.82 5.82 5.82 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.49 8.49 8.49 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.66 6.68 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 5.8 5.8 5.8 ChEMBL