FR139317


SMILES CC(C[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)Cc1ccccn1)Cc1cn(c2c1cccc2)C)NC(=O)N1CCCCCC1)C
InChIKey LIOKMIQQPDDTNO-UPRLRBBYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 604.3

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
ETB EDNRB Human Endothelin A pKi 5.14 5.14 5.14 ChEMBL
ETA EDNRA Human Endothelin A pKi 9.0 9.05 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 7.3 7.6 7.9 Guide to Pharmacology
ETA EDNRA Human Endothelin A pIC50 8.28 8.28 8.28 ChEMBL