thioperamide


SMILES S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1
InChIKey QKDDJDBFONZGBW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 292.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations H3 H4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Human Histamine A pKi 6.3 6.95 7.6 Guide to Pharmacology
H4 HRH4 Mouse Histamine A pKi 7.6 7.6 7.6 Guide to Pharmacology
H4 HRH4 Rat Histamine A pKi 7.6 7.6 7.6 Guide to Pharmacology
H3 HRH3 Rat Histamine A pKi 7.7 8.25 8.8 Guide to Pharmacology
H3 HRH3 Mouse Histamine A pKi 8.6 8.7 8.8 Guide to Pharmacology
H4 HRH4 Mouse Histamine A pKi 7.1 7.14 7.18 ChEMBL
H4 HRH4 Rat Histamine A pKi 7.3 7.3 7.3 ChEMBL
H3 HRH3 Mouse Histamine A pKi 8.32 8.32 8.32 ChEMBL
H3 HRH3 Guinea pig Histamine A pKi 8.14 8.23 8.4 ChEMBL
H3 HRH3 Guinea pig Histamine A pKd 8.44 8.81 9.06 ChEMBL
H3 HRH3 Rat Histamine A pKi 7.64 8.39 8.81 ChEMBL
H4 HRH4 Human Histamine A pKi 6.3 6.94 8.4 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.46 6.46 6.46 ChEMBL
H3 HRH3 Human Histamine A pKi 6.22 7.27 8.19 ChEMBL
H3 HRH3 Human Histamine A pKd 7.2 7.28 7.36 ChEMBL
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H3 HRH3 Human Histamine A pKi 5.0 7.08 7.6 PDSP Ki database
H3 HRH3 Rat Histamine A pKi 7.8 8.37 8.74 PDSP Ki database
H3 HRH3 Guinea pig Histamine A pKi 8.34 8.52 8.7 PDSP Ki database
H4 HRH4 Human Histamine A pKi 6.9 7.24 7.57 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.9 6.9 6.9 PDSP Ki database
H2 HRH2 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
H2 HRH2 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
δ OPRD Rat Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 5.55 5.55 5.55 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
κ OPRK Rat Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 5.34 5.34 5.34 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.9 6.9 6.9 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.46 6.46 6.46 PDSP Ki database
H3 HRH3 Human Histamine A pKi 7.1 7.4 7.7 Guide to Pharmacology
μ OPRM Rat Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H4 HRH4 Mouse Histamine A pEC50 6.52 7.04 7.55 ChEMBL
H3 HRH3 Mouse Histamine A pEC50 7.96 7.96 7.96 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.7 4.78 4.85 ChEMBL
H4 HRH4 Human Histamine A pIC50 6.01 6.48 7.72 ChEMBL
H4 HRH4 Human Histamine A pEC50 6.38 6.96 7.15 ChEMBL
H3 HRH3 Human Histamine A pIC50 5.99 6.87 7.8 ChEMBL
H3 HRH3 Human Histamine A pEC50 7.0 7.18 7.47 ChEMBL