flupentixol


SMILES OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)C(F)(F)F
InChIKey NJMYODHXAKYRHW-DVZOWYKESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 434.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations D1 D2 D5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pKi 7.87 7.87 7.87 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 7.74 7.74 7.74 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 8.1 8.1 8.1 Guide to Pharmacology
D1 DRD1 Bovine Dopamine A pKi 7.75 7.75 7.75 ChEMBL
D1 DRD1 Rat Dopamine A pKi 7.42 7.42 7.42 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.06 7.06 7.06 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.89 8.29 8.7 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 8.4 8.46 8.52 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.33 8.44 9.85 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.52 8.15 9.52 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.1 5.1 5.1 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.53 6.84 6.99 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 8.49 8.49 8.49 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 6.04 7.55 9.49 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.66 8.04 9.47 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 7.32 8.43 9.01 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 5.1 6.64 8.5 PDSP Ki database
D5 DRD5 Human Dopamine A pKi 8.1 8.1 8.1 PDSP Ki database
D2 DRD2 Mouse Dopamine A pKi 7.0 8.6 9.47 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.0 7.23 8.8 PDSP Ki database
D1 DRD1 Mouse Dopamine A pKi 6.32 7.91 9.49 PDSP Ki database
H1 HRH1 Human Histamine A pKi 8.24 8.66 9.07 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.29 8.29 8.29 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.15 8.15 8.15 Drug Central
D1 DRD1 Human Dopamine A pKi 8.08 8.08 8.08 Drug Central
D2 DRD2 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D3 DRD3 Human Dopamine A pKi 8.05 8.05 8.05 Drug Central
D4 DRD4 Human Dopamine A pKi 8.06 8.06 8.06 Drug Central
D5 DRD5 Human Dopamine A pKi 8.09 8.09 8.09 Drug Central
H1 HRH1 Human Histamine A pKi 8.04 8.04 8.04 Drug Central
D1 DRD1 Bovine Dopamine A pKi 8.11 8.11 8.11 Drug Central
D1 DRD1 Human Dopamine A pKi 7.0 7.7 8.4 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Rat Dopamine A pIC50 9.52 9.52 9.52 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.3 5.67 6.05 ChEMBL
D1 DRD1 Rat Dopamine A pIC50 8.02 8.02 8.02 Drug Central
TSH TSHR Human Glycoprotein hormone A Potency 4.7 4.7 4.7 ChEMBL