compound 10 [PMID: 31306001]


SMILES COC(=O)c1cccc(c1)CSc1nc(N)c(c(c1C#N)c1ccco1)C#N
InChIKey IKBOAPCYYHRBSI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 390.1

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 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database