FK 224


SMILES CCCCCC1=CC=CC=C1CCC(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(=CC3=CC=C(C=C3)O)N(C2=O)C)CC(C)C)CC4=CC=CC=C4)C(C)O)CC(=O)N)CO)C
InChIKey BEWCDVTWUFJSSM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 10
Rotatable bonds 17
Molecular weight (Da) 1040.5

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
NK1 NK1R Guinea pig Tachykinin A pKi 7.01 7.01 7.01 PDSP Ki database
NK1 NK1R Human Tachykinin A pKi 6.67 6.67 6.67 PDSP Ki database
NK2 NK2R Human Tachykinin A pKi 5.44 5.9 6.36 PDSP Ki database
NK2 NK2R Bovine Tachykinin A pKi 6.51 6.51 6.51 PDSP Ki database
NK3 NK3R Guinea pig Tachykinin A pKi 5.45 5.45 5.45 PDSP Ki database
NK1 NK1R Rat Tachykinin A pKi 6.64 6.64 6.64 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database