xanthine amine congener


SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN
InChIKey FIQGIOAELHTLHM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 428.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 3REY
Ligand site mutations A1 A2A A2B A3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR119 GP119 Rat GPR18, GPR55 and GPR119 A pEC50 7.48 7.48 7.48 Guide to Pharmacology
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pEC50 7.64 8.11 8.57 ChEMBL
GPR119 GP119 Human GPR18, GPR55 and GPR119 A pEC50 8.57 8.57 8.57 Guide to Pharmacology
GPR119 GP119 Rat GPR18, GPR55 and GPR119 A pEC50 7.48 7.48 7.48 ChEMBL