RU 24969


SMILES COC1=CC2=C(C=C1)NC=C2C3=CCNCC3.C(CC(=O)O)C(=O)O
InChIKey AFNQSRYIQUAMNM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 346.2

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-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.3 8.83 9.53 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.04 8.13 8.72 PDSP Ki database
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 8.11 8.14 8.25 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.27 6.53 6.76 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.04 6.04 6.04 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.2 6.68 9.6 PDSP Ki database
5-HT1A F6Q2H9 Bovine 5-Hydroxytryptamine A pKi 8.42 8.42 8.42 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.1 8.36 8.56 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.36 7.64 7.78 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 7.3 7.37 7.6 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.19 6.39 7.09 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.67 6.14 7.72 PDSP Ki database
5-HT2B F6QI78 Bovine 5-Hydroxytryptamine A pKi 5.92 5.92 5.92 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.91 7.91 7.91 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.24 6.24 6.24 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 7.33 7.33 7.33 PDSP Ki database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 7.77 7.77 7.77 PDSP Ki database
5-HT5A 5HT5A Mouse 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 PDSP Ki database
5-HT6 5HT6R Mouse 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 PDSP Ki database
5-HT1D 5HT1D Dog 5-Hydroxytryptamine A pKi 7.2 7.2 7.2 PDSP Ki database
5-HT1B 5HT1B Mouse 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 PDSP Ki database
5-HT1F 5HT1F Mouse 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.87 7.32 7.58 PDSP Ki database
5-HT1B 5HT1B Guinea pig 5-Hydroxytryptamine A pKi 7.49 7.49 7.49 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database