sumatriptan


SMILES CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2
InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 295.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations 5-HT1B 5-HT1D

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 7.59 7.59 7.59 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.32 7.81 8.26 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.52 8.2 8.92 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.34 6.34 6.34 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.36 6.45 6.64 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 6.4 6.4 6.4 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 7.21 8.04 8.92 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.99 6.39 6.59 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.08 8.08 8.08 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.5 7.3 8.1 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.08 8.49 8.92 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.0 8.35 8.7 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.6 5.63 5.68 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.6 5.7 5.8 Guide to Pharmacology
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 7.64 7.64 7.64 PDSP Ki database
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 7.2 7.55 7.9 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.42 6.42 6.42 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 Guide to Pharmacology
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.0 5.39 5.59 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.6 5.6 5.6 Guide to Pharmacology
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.22 8.22 8.22 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.02 6.11 6.3 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.7 5.85 6.0 Guide to Pharmacology
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 Drug Central
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 5.2 5.2 5.2 Guide to Pharmacology
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT6 5HT6R Mouse 5-Hydroxytryptamine A pKi 5.25 5.47 5.7 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.13 6.56 7.0 PDSP Ki database
5-HT1F 5HT1F Mouse 5-Hydroxytryptamine A pKi 7.1 7.1 7.1 PDSP Ki database
5-HT1D 5HT1D Dog 5-Hydroxytryptamine A pKi 8.1 8.45 8.79 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.12 8.12 8.12 Drug Central
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.33 6.78 7.4 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 7.64 7.87 8.09 ChEMBL
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 8.02 8.02 8.02 PDSP Ki database
5-HT7 5HT7R Guinea pig 5-Hydroxytryptamine A pKi 6.6 6.8 7.0 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.24 6.6 7.6 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.2 6.4 6.6 Guide to Pharmacology
5-HT2A 5HT2A Pig 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Western lowland gorilla 5-Hydroxytryptamine A pKi 8.09 8.09 8.09 Drug Central
5-HT1B 5HT1B Western lowland gorilla 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 ChEMBL
5-HT1B 5HT1B Guinea pig 5-Hydroxytryptamine A pKi 6.76 6.76 6.76 PDSP Ki database
5-HT5A 5HT5A Mouse 5-Hydroxytryptamine A pKi 8.32 8.32 8.32 Drug Central
5-HT5A 5HT5A Mouse 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT5A 5HT5A Mouse 5-Hydroxytryptamine A pKi 4.8 4.8 4.8 Guide to Pharmacology
5-HT1F 5HT1F Rat 5-Hydroxytryptamine A pKi 7.19 7.19 7.19 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 6.9 7.44 7.77 PDSP Ki database
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 6.13 6.13 6.13 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pEC50 7.01 7.01 7.01 ChEMBL
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pIC50 7.21 7.21 7.21 ChEMBL
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pEC50 7.46 7.46 7.46 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pIC50 6.3 6.3 6.3 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 7.57 8.06 9.3 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pEC50 7.11 7.27 7.42 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pEC50 6.66 7.78 8.37 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pIC50 5.62 7.74 8.53 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pEC50 5.89 5.89 5.89 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 6.09 6.14 6.19 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.3 6.37 6.4 ChEMBL
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pIC50 8.28 8.28 8.28 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pIC50 5.26 5.26 5.26 ChEMBL
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pIC50 7.2 7.2 7.2 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.1 5.1 5.1 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 8.09 8.09 8.09 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.1 6.62 8.14 ChEMBL
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pIC50 8.2 8.2 8.2 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.21 8.21 8.21 Drug Central
5-HT1A 5HT1A Mouse 5-Hydroxytryptamine A pIC50 8.2 8.2 8.2 Drug Central
5-HT1A 5HT1A Mouse 5-Hydroxytryptamine A pIC50 6.35 6.35 6.35 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 6.96 7.36 7.75 ChEMBL
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pIC50 8.14 8.14 8.14 Drug Central