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 |
Endogenous/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 |