EMETINE


SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21
InChIKey AUVVAXYIELKVAI-CKBKHPSWSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 480.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pKi 5.97 5.97 5.97 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 5.58 5.58 5.58 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.58 7.58 7.58 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.85 7.85 7.85 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.25 8.25 8.25 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 5.71 5.71 5.71 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.18 5.18 5.18 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 6.74 6.74 6.74 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 7.42 7.42 7.42 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.28 8.28 8.28 Drug Central
NPS NPSR1 Human Neuropeptide S A Potency 5.6 5.6 5.6 ChEMBL