NAN-190


SMILES COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O.Br
InChIKey AXRUEPFPTQYHQD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 473.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.15 9.34 9.52 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.97 5.97 5.97 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.1 6.13 6.17 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.35 5.35 5.35 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.03 8.25 8.47 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.52 8.77 8.9 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.26 6.26 6.26 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.39 5.39 5.39 PDSP Ki database
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 6.69 6.69 6.69 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.0 6.37 7.1 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.21 6.21 6.21 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.66 6.66 6.66 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 7.33 7.59 7.85 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.11 6.11 6.11 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database