NKA


SMILES CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CN=CN2)N
InChIKey HEAUFJZALFKPBA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 16
Rotatable bonds 37
Molecular weight (Da) 1132.6

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 6.19 6.19 6.19 PDSP Ki database
NK2 NK2R Human Tachykinin A pKi 8.74 9.1 9.32 PDSP Ki database
NK3 NK3R Human Tachykinin A pKi 6.27 6.27 6.27 PDSP Ki database
NK2 NK2R Bovine Tachykinin A pKi 9.02 9.02 9.02 PDSP Ki database
NK2 NK2R Rat Tachykinin A pKi 9.12 9.12 9.12 PDSP Ki database
NK2 NK2R Guinea pig Tachykinin A pKi 8.64 8.64 8.64 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database