Ligand Data

Ligand

id 102651
Name CHEMBL3287060
SMILES CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N
InChIKey IMZZWIWCQOUALL-RTNMLALUSA-N
Type small molecule
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Structure

Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 9
Rotatable bonds 18
Molecular weight 711.8


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
MC4 mc4r_human Human Melanocortin receptors Class A (Rhodopsin) 6.2 184.13333333333333 540.0