salmeterol


SMILES OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O
InChIKey GIIZNNXWQWCKIB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 16
Molecular weight (Da) 415.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 6MXT
Ligand site mutations β2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pKi 6.8 8.05 9.3 Guide to Pharmacology
β1 ADRB1 Mouse Adrenoceptors A pKi 6.26 6.26 6.26 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.6 5.86 6.11 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.74 8.74 9.74 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 5.96 7.74 9.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.98 5.98 5.98 ChEMBL
D2 DRD2 Human Dopamine A pKi 4.5 4.5 4.5 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.8 7.01 8.21 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 5.14 6.7 8.25 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 7.6 8.16 9.41 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.03 8.03 8.03 Drug Central
D2 DRD2 Human Dopamine A pKi 8.35 8.35 8.35 Drug Central
D3 DRD3 Human Dopamine A pKi 8.22 8.22 8.22 Drug Central
β1 ADRB1 Mouse Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 9.2 9.55 9.9 Guide to Pharmacology
β1 B0FL73 Guinea pig Adrenoceptors A pEC50 8.3 8.3 8.3 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pIC50 8.46 8.46 8.46 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 7.5 8.17 8.57 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.95 4.95 4.95 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 5.9 5.93 6.0 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 5.3 6.29 7.17 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 6.3 6.3 6.3 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 8.35 9.56 10.35 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.3 8.3 8.3 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 8.22 8.22 8.22 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 8.12 8.12 8.12 Drug Central