Ligand Data

Ligand

id 85600
Name CHEMBL2237595
SMILES CCCCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[nH]2)cc1
InChIKey IVHIYOHUWNXHCH-UHFFFAOYSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight 569.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
AT1 AGTR1 Rabbit Angiotensin A (Rhodopsin) 6.6 6.6 6.6