Bp 897

Chemical Properties

SMILES COc1ccccc1N1CCN(CC1)CCCCNC(=O)c1ccc2c(c1)cccc2
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight 417.2

Drug Properties

Type Small molecule
Endogenous No
Approved No
InChIKey MNHDKMDLOJSCGN-UHFFFAOYSA-N

Database Connections

External Links
Ligand site mutations D3


Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pKi 9.0 9.0 9.0 Guide to Pharmacology
D3 DRD3 Green monkey Dopamine A pEC50 8.52 8.52 8.52 ChEMBL
D5 DRD5 Rat Dopamine A pKi 6.2 6.2 6.2 ChEMBL
α2A ADA2A Rat Adrenoceptors A pKi 7.08 7.08 7.08 ChEMBL
D4 DRD4 Rat Dopamine A pKi 6.79 6.79 6.79 ChEMBL
D1 DRD1 Pig Dopamine A pKi 6.12 6.12 6.12 ChEMBL
D3 DRD3 Rat Dopamine A pKi 7.7 8.76 9.04 ChEMBL
D3 DRD3 Rat Dopamine A pIC50 9.14 9.27 9.39 ChEMBL
D5 DRD5 Human Dopamine A pKi 5.91 5.91 5.91 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.52 5.52 5.52 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.22 7.22 7.22 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.7 4.78 4.85 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.04 8.04 8.04 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.56 8.56 8.56 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.48 7.48 7.48 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.95 6.06 6.12 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.2 7.04 7.41 ChEMBL
D4 DRD4 Human Dopamine A pEC50 7.31 7.31 7.31 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.33 6.77 7.21 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 7.55 7.58 7.62 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.08 7.08 7.08 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.66 6.66 6.66 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.76 7.01 7.09 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.34 8.93 9.52 ChEMBL
D3 DRD3 Human Dopamine A pEC50 8.52 8.64 8.74 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.25 8.1 8.74 ChEMBL
D3 DRD3 Human Dopamine A pKd 7.8 7.8 7.8 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.61 6.89 7.47 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.8 4.8 4.8 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.85 7.85 7.85 PDSP KiDatabase