AMILORIDE


SMILES N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
InChIKey XSDQTOBWRPYKKA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 1
Molecular weight (Da) 229.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A2A A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 4.92 5.11 5.48 ChEMBL
δ OPRD Rat Opioid 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
A1 AA1R Rat Adenosine 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
M2 ACM2 Rat Acetylcholine (muscarinic) 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
A1 AA1R Bovine Adenosine A pKi 5.7 5.7 5.7 PDSP Ki database
H1 HRH1 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
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) 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
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 8.26 8.26 8.26 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine 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
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL