methadone


SMILES CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N(C)C)C
InChIKey USSIQXCVUWKGNF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 309.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 6.9 6.9 6.9 Guide to Pharmacology
κ OPRK Human Opioid A pKi 6.5 6.5 6.5 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKi 4.58 4.58 4.58 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.68 5.68 5.68 ChEMBL
μ OPRM Human Opioid A pKi 7.89 7.89 7.89 ChEMBL
δ OPRD Human Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
κ OPRK Human Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
μ OPRM Human Opioid A pKi 8.25 8.7 9.14 PDSP Ki database
μ OPRM Rat Opioid A pKi 6.7 8.01 9.02 PDSP Ki database
D2 DRD2 Bovine Dopamine A pKi 5.57 5.57 5.57 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
κ OPRK Rat Opioid A pKi 5.73 5.99 6.39 PDSP Ki database
μ OPRM Human Opioid A pKi 8.06 8.06 8.06 Drug Central
μ OPRM Human Opioid A pKi 9.2 9.2 9.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 5.96 5.96 5.96 ChEMBL
κ OPRK Human Opioid A pIC50 6.29 6.29 6.29 ChEMBL
μ OPRM Human Opioid A pIC50 8.39 8.39 8.39 ChEMBL
δ OPRD Human Opioid A pIC50 8.22 8.22 8.22 Drug Central
κ OPRK Human Opioid A pIC50 8.2 8.2 8.2 Drug Central
μ OPRM Human Opioid A pIC50 8.39 8.39 8.39 Guide to Pharmacology