NE 52-QQ57


SMILES CCc1nn2c(c1Cc1ccc(cc1)c1nnc(o1)C1CCNCC1)nc(cc2C)C
InChIKey HXPQWNPLNIEJOW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 416.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

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
GPR4 GPR4 Rat A orphans A pIC50 5.74 5.74 5.74 Guide to Pharmacology
GPR4 GPR4 Mouse A orphans A pIC50 6.28 6.28 6.28 ChEMBL
GPR4 GPR4 Rat A orphans A pIC50 5.74 5.74 5.74 ChEMBL
GPR4 GPR4 Human A orphans A pIC50 7.13 7.15 7.17 ChEMBL
GPR4 GPR4 Human A orphans A pIC50 7.15 7.15 7.15 Guide to Pharmacology