fentanyl


SMILES CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1
InChIKey PJMPHNIQZUBGLI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 336.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8EF5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 6.8 6.8 6.8 Guide to Pharmacology
κ OPRK Human Opioid A pKi 7.1 7.1 7.1 Guide to Pharmacology
μ OPRM Human Opioid A pKi 9.2 9.2 9.2 Guide to Pharmacology
δ OPRD Mouse Opioid A pKi 6.25 6.25 6.25 ChEMBL
κ OPRK Guinea pig Opioid A pKi 5.95 6.4 6.71 ChEMBL
μ OPRM Rat Opioid A pKi 6.24 8.18 8.82 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.26 6.26 6.26 ChEMBL
δ OPRD Human Opioid A pKi 5.99 6.13 6.24 ChEMBL
κ OPRK Human Opioid A pKi 6.71 6.71 6.71 ChEMBL
μ OPRM Human Opioid A pKi 8.28 8.59 8.96 ChEMBL
μ OPRM Human Opioid A pKi 8.72 9.09 9.41 PDSP Ki database
δ OPRD Human Opioid A pKi 6.0 6.41 6.82 PDSP Ki database
κ OPRK Human Opioid A pKi 6.59 6.83 7.07 PDSP Ki database
κ OPRK Guinea pig Opioid A pKi 6.82 6.82 6.82 PDSP Ki database
δ A0A286XTF2 Guinea pig Opioid A pKi 7.13 7.13 7.13 PDSP Ki database
μ OPRM Mouse Opioid A pKi 9.03 9.19 9.35 PDSP Ki database
μ OPRM Rat Opioid A pKi 8.89 8.89 8.89 PDSP Ki database
δ OPRD Human Opioid A pKi 8.21 8.21 8.21 Drug Central
κ OPRK Human Opioid A pKi 8.17 8.17 8.17 Drug Central
μ OPRM Rat Opioid A pKi 8.05 8.05 8.05 Drug Central
κ OPRK Guinea pig Opioid A pKi 8.17 8.17 8.17 Drug Central
μ OPRM Mouse Opioid A pKi 8.08 8.08 8.08 Drug Central
D2 DRD2 Human Dopamine A pKi 4.68 4.68 4.68 ChEMBL
D3 DRD3 Human Dopamine A pKi 4.58 4.58 4.58 ChEMBL
μ OPRM Rat Opioid A pKi 9.4 9.4 9.4 Guide to Pharmacology
μ OPRM Mouse Opioid A pKi 8.23 8.23 8.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Rat Histamine A pIC50 4.7 4.7 4.7 ChEMBL
δ OPRD Mouse Opioid A pIC50 5.03 7.62 8.46 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 5.23 5.23 5.23 ChEMBL
μ OPRM Rat Opioid A pEC50 7.49 7.49 7.49 ChEMBL
μ OPRM Rat Opioid A pIC50 5.9 7.41 8.91 ChEMBL
δ OPRD Human Opioid A pIC50 6.37 6.61 6.73 ChEMBL
κ OPRK Human Opioid A pIC50 5.8 5.8 5.8 ChEMBL
μ OPRM Human Opioid A pIC50 7.97 8.37 8.89 ChEMBL
μ OPRM Human Opioid A pEC50 7.28 7.89 9.29 ChEMBL
μ OPRM Human Opioid A pEC50 8.05 8.05 8.05 Drug Central
δ OPRD Mouse Opioid A pIC50 8.1 8.1 8.1 Drug Central
H1 HRH1 Rat Histamine A pIC50 8.33 8.33 8.33 Drug Central