CHEMBL3350781


SMILES CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc4csc(=N)n4C)C(=O)N[C@@H](Cc4cn(Cc5ccccc5)c[n+]4C)C(=O)NC4CCN(C)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1
InChIKey KUDFPXVGQHWSJN-NTGUUYCISA-O

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 38
Molecular weight (Da) 1404.7

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
apelin APJ Human Apelin A pKi 6.16 6.27 6.37 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 5.65 5.65 5.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database