APNEA


SMILES OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCCc1ccc(cc1)N
InChIKey XTPOZVLRZZIEBW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 386.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 5.3 5.3 5.3 Guide to Pharmacology
A3 AA3R Human Adenosine A pKd 7.8 7.8 7.8 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 6.4 6.4 6.4 ChEMBL