Chembl3577344


SMILES CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4[nH]c(=O)ccc34)cc2OC)nn1
InChIKey BOUDGQUEAMMTAE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 20
Molecular weight (Da) 632.4

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D5 DRD5 Human Dopamine A pKi 4.6 4.6 4.6 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.34 5.34 5.34 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.1 6.1 6.1 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.44 5.44 5.44 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.8 8.8 8.8 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.28 7.45 7.62 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.14 5.84 6.85 ChEMBL