CGS 12066B


SMILES CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O
InChIKey ZBPAHEUAJMCLRD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 450.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.83 7.28 8.13 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 7.49 7.49 7.49 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.3 5.89 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.44 5.47 5.5 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.82 5.82 5.82 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.36 7.36 7.36 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.24 6.24 6.24 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.18 5.18 5.18 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.0 9.2 10.4 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.54 8.59 8.68 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 6.13 6.13 6.13 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 8.31 8.31 8.31 PDSP Ki database
5-HT1B 5HT1B Guinea pig 5-Hydroxytryptamine A pKi 7.19 7.19 7.19 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.37 5.37 5.37 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.6 5.6 5.6 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.76 5.76 5.76 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database