GR 113808


SMILES O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C
InChIKey MOZPSIXKYJUTKI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 393.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT4

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 9.29 9.8 10.3 Guide to Pharmacology
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 8.4 8.55 8.7 Guide to Pharmacology
5-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 9.7 9.7 9.7 Guide to Pharmacology
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 9.82 9.82 9.82 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 8.85 9.66 10.4 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKd 7.8 7.8 7.8 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 9.96 9.96 9.96 ChEMBL
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 8.4 9.36 10.7 PDSP Ki database
5-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 9.51 9.56 9.7 PDSP Ki database
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 9.6 10.0 10.7 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 9.41 9.62 10.22 PDSP Ki database
A1 AA1R Rat Adenosine 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
V2 V2R Rat Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H3 HRH3 Rat Histamine 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
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 5.2 5.2 5.2 PDSP Ki database
β2 ADRB2 Guinea pig Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 PDSP Ki database
β1 ADRB1 Rat Adrenoceptors A pKi 5.1 5.1 5.1 PDSP Ki database
NK2 NK2R Rat Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
μ OPRM Rat Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
CCK2 GASR Rat Cholecystokinin 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
B1 BKRB1 Rat Bradykinin A pKi 5.0 5.0 5.0 PDSP Ki database
NK1 NK1R Rat Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
NK3 NK3R Rat Tachykinin A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Human 5-Hydroxytryptamine A pIC50 9.68 9.68 9.68 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pIC50 7.89 7.89 7.89 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 6.6 6.6 6.6 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.6 4.6 4.6 ChEMBL