NKB


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(CC2=CC=CC=C2)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)N
InChIKey NHXYSAFTNPANFK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 14
Rotatable bonds 38
Molecular weight (Da) 1209.5

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 Human Tachykinin A pKi 6.26 6.26 6.26 PDSP Ki database
NK2 NK2R Human Tachykinin A pKi 7.78 7.78 7.78 PDSP Ki database
NK3 NK3R Human Tachykinin A pKi 9.09 9.09 9.09 PDSP Ki database
NK3 NK3R Guinea pig Tachykinin A pKi 8.45 8.45 8.45 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database