buspirone


SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
InChIKey QWCRAEMEVRGPNT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 385.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations 5-HT1A D2

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 Guide to Pharmacology
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 6.75 6.75 6.75 ChEMBL
D1 DRD1 Bovine Dopamine A pKi 5.21 5.21 5.21 ChEMBL
D2 DRD2 Bovine Dopamine A pKi 7.36 7.36 7.36 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.77 7.77 7.77 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 5.85 5.85 5.85 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.28 6.28 6.28 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.05 7.67 8.42 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.07 6.64 7.38 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.34 7.88 8.42 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.18 7.0 7.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.49 5.91 6.18 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.3 7.83 8.51 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 8.0 8.0 8.0 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.0 6.92 7.89 ChEMBL
5-HT1A F6Q2H9 Bovine 5-Hydroxytryptamine A pKi 7.7 7.77 7.85 PDSP Ki database
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 7.58 7.58 7.58 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.67 7.56 8.4 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.03 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.92 6.04 6.12 PDSP Ki database
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 5.87 5.87 5.87 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.22 5.48 5.68 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.08 5.37 5.94 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.07 6.46 6.86 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.67 6.67 6.67 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.31 6.31 6.31 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.42 6.42 6.43 PDSP Ki database
5-HT6 5HT6R Mouse 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 PDSP Ki database
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 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 8.19 8.19 8.19 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
D2 DRD2 Human Dopamine A pKi 8.11 8.11 8.11 Drug Central
D3 DRD3 Human Dopamine A pKi 8.21 8.21 8.21 Drug Central
D4 DRD4 Human Dopamine A pKi 8.15 8.15 8.15 Drug Central
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
D1 DRD1 Bovine Dopamine A pKi 8.28 8.28 8.28 Drug Central
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
D2 DRD2 Bovine Dopamine A pKi 8.13 8.13 8.13 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.16 8.16 8.16 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.7 7.85 8.0 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.64 5.64 5.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.22 8.22 8.22 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pIC50 5.0 5.0 5.0 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pIC50 4.8 4.8 4.8 ChEMBL
D1 DRD1 Bovine Dopamine A pIC50 4.57 4.57 4.57 ChEMBL
D2 DRD2 Bovine Dopamine A pIC50 5.4 5.4 5.4 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 4.58 4.74 4.9 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.46 5.46 5.46 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.97 5.97 5.97 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.55 6.79 7.26 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 7.22 7.64 8.15 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.12 6.12 6.12 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.36 7.36 7.36 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.64 5.64 5.64 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 7.6 7.6 7.6 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.73 7.25 7.82 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.49 6.49 6.49 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 8.14 8.14 8.14 Drug Central
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pIC50 8.22 8.22 8.22 Drug Central
α2A ADA2A Bovine Adrenoceptors A pIC50 8.3 8.3 8.3 Drug Central
α1A ADA1A Bovine Adrenoceptors A pIC50 8.32 8.32 8.32 Drug Central
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pIC50 6.0 6.0 6.0 ChEMBL
α2A ADA2A Bovine Adrenoceptors A pIC50 5.0 5.0 5.0 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.65 4.7 4.75 ChEMBL