fluoxetine


SMILES CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F
InChIKey RTHCYVBBDHJXIQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 309.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations 5-HT2A 5-HT2C

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 Guide to Pharmacology
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 Guide to Pharmacology
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 Guide to Pharmacology
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.96 6.96 6.96 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.16 6.16 6.16 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.01 6.01 6.01 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.12 6.12 6.12 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.2 8.2 8.2 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.11 6.11 6.11 ChEMBL
H3 HRH3 Human Histamine A pKi 5.14 5.14 5.14 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.14 7.17 7.21 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.11 6.11 6.11 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.26 7.26 7.26 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.15 6.5 6.85 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.8 7.27 7.62 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.4 7.02 7.48 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.03 5.08 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 5.81 5.92 6.03 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.0 5.41 5.96 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.21 5.21 5.21 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.37 5.37 5.37 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.0 5.1 5.3 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.99 6.07 6.15 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 5.49 5.49 5.49 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.61 6.76 6.85 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.57 5.57 5.57 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.0 6.0 6.0 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.54 5.54 5.54 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 5.7 5.7 5.7 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.22 8.22 8.22 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.25 8.25 8.25 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.22 8.22 8.22 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.26 8.26 8.26 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.25 8.25 8.25 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.24 8.24 8.24 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.27 8.27 8.27 Drug Central
D3 DRD3 Human Dopamine A pKi 8.24 8.24 8.24 Drug Central
H1 HRH1 Human Histamine A pKi 8.22 8.22 8.22 Drug Central
H3 HRH3 Human Histamine A pKi 8.29 8.29 8.29 Drug Central
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
H3 HRH3 Human Histamine A pKi 5.14 5.14 5.14 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 Guide to Pharmacology
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.57 5.57 5.57 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 5.75 5.75 5.75 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C A0A4W2GLI9 Hybrid cattle 5-Hydroxytryptamine A pKi 6.57 6.57 6.57 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pIC50 5.82 5.82 5.82 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.87 5.87 5.87 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 5.44 5.44 5.44 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.78 5.78 5.78 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.8 6.86 6.92 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.49 5.49 5.49 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.15 6.43 6.71 ChEMBL