clenbuterol


SMILES CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChIKey STJMRWALKKWQGH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 276.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations β2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 7.4 7.65 7.9 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 7.4 7.65 7.9 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pKi 7.16 7.16 7.16 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.82 5.82 5.82 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.24 6.89 7.55 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 7.8 7.8 7.8 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.24 6.24 6.24 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
β2 ADRB2 Human Adrenoceptors A pKd 8.11 8.11 8.11 Drug Central
β2 ADRB2 Bovine Adrenoceptors A pKd 8.13 8.13 8.13 Drug Central
β2 ADRB2 Bovine Adrenoceptors A pKd 7.44 7.44 7.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 9.2 9.2 9.2 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pEC50 9.2 9.2 9.2 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pIC50 6.92 6.92 6.92 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.58 5.58 5.58 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.89 6.64 7.39 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.25 8.25 8.25 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 7.89 7.89 7.89 ChEMBL