CHEMBL327708


SMILES CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O
InChIKey XJLGXHIRSHTRPQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 506.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKd 9.64 9.64 9.64 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.94 7.94 7.94 ChEMBL
A1 AA1R Human Adenosine A pKd 9.15 9.32 9.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pIC50 8.92 8.92 8.92 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.55 4.92 5.3 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.93 7.95 8.0 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.2 5.2 5.2 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.9 5.9 5.9 ChEMBL