Ligand Data

Ligand

id 110570
Name CHEMBL3235280
SMILES CCN(CC)CCN1CCN(C(=O)CCc2cccc(CSc3nc(N)c(C#N)c(-c4ccc(NC(C)=O)cc4)n3)n2)CC1
InChIKey DMDJTLNTJHFQMG-UHFFFAOYSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 13
Molecular weight 615.3


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
A2A AA2AR Human Adenosine A (Rhodopsin) 3.0 3.0 3.0
A1 AA1R Human Adenosine A (Rhodopsin) 1.0 1.0 1.0