loperamide


SMILES Clc1ccc(cc1)C1(O)CCN(CC1)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1
InChIKey RDOIQAHITMMDAJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 476.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 9PY2 9PY3 9PY4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pKi 9.28 9.28 9.28 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pKi 6.27 6.27 6.27 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.58 5.58 5.58 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.43 5.43 5.43 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 5.6 5.6 5.6 ChEMBL
H2 HRH2 Human Histamine A pKi 5.52 5.52 5.52 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.73 5.79 5.84 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.58 6.01 6.44 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.68 5.68 5.68 ChEMBL
δ OPRD Human Opioid A pKi 6.5 6.54 6.58 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.71 6.03 6.34 ChEMBL
κ OPRK Human Opioid A pKi 5.9 6.52 7.14 ChEMBL
μ OPRM Human Opioid A pKi 8.59 9.17 9.57 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.25 8.25 8.25 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.25 8.25 8.25 Drug Central
D3 DRD3 Human Dopamine A pKi 8.2 8.2 8.2 Drug Central
H2 HRH2 Human Histamine A pKi 8.26 8.26 8.26 Drug Central
δ OPRD Human Opioid A pKi 8.16 8.16 8.16 Drug Central
κ OPRK Human Opioid A pKi 8.17 8.17 8.17 Drug Central
μ OPRM Human Opioid A pKi 8.05 8.05 8.05 Drug Central
SST5 SSR5 Human Somatostatin A pKi 8.27 8.27 8.27 Drug Central
δ OPRD Rat Opioid A pKi 8.14 8.14 8.14 Drug Central
μ OPRM Rat Opioid A pKi 8.01 8.01 8.01 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
D2 DRD2 Human Dopamine A pKi 5.24 5.24 5.24 ChEMBL
δ OPRD Rat Opioid A pKi 7.3 7.3 7.3 ChEMBL
μ OPRM Rat Opioid A pKi 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
C5a2 C5AR2 Human Complement peptide A pEC50 5.9 5.9 5.9 ChEMBL
GPR183 GP183 Human Orphan A pEC50 5.77 5.77 5.77 ChEMBL
C3a C3AR Human Complement peptide A pEC50 5.93 5.93 5.93 ChEMBL
ADGRF1 AGRF1 Human ADGRF B2 pEC50 5.69 5.69 5.69 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 6.01 6.01 6.01 ChEMBL
GPR35 GPR35 Human Orphan A pEC50 6.35 6.35 6.35 ChEMBL
FPR1 FPR1 Human Formylpeptide A pEC50 6.07 6.07 6.07 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.21 5.21 5.21 ChEMBL
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pEC50 6.23 6.23 6.23 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.51 5.51 5.51 ChEMBL
FFA4 FFAR4 Human Free fatty acid A pEC50 6.03 6.03 6.03 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 6.3 6.3 6.3 ChEMBL
FPR2/ALX FPR2 Human Formylpeptide A pEC50 5.94 5.94 5.94 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.39 5.39 5.39 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.52 5.52 5.52 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.87 5.87 5.87 ChEMBL
δ OPRD Human Opioid A pIC50 6.05 6.48 6.91 ChEMBL
δ OPRD Human Opioid A pEC50 6.81 6.81 6.81 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.87 5.87 5.87 ChEMBL
κ OPRK Human Opioid A pIC50 5.5 6.15 6.81 ChEMBL
μ OPRM Human Opioid A pIC50 8.82 8.83 8.84 ChEMBL
GLP-1 GLP1R Human Glucagon B1 pEC50 5.95 5.95 5.95 ChEMBL
H1 HRH1 Human Histamine A pIC50 8.24 8.24 8.24 Drug Central
α1A ADA1A Rat Adrenoceptors A pIC50 8.28 8.28 8.28 Drug Central
C5a1 C5AR1 Human Complement peptide A pEC50 6.18 6.18 6.18 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 5.4 5.9 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.7 4.75 4.8 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 4.48 4.48 4.48 ChEMBL
SST5 SSR5 Mouse Somatostatin A pIC50 4.2 4.2 4.2 ChEMBL