CHEMBL56835


SMILES CC(=O)NC1(c2ccccc2)CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIKey PGKXDIMONUAMFR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 551.2

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
NK2 NK2R Human Tachykinin A pKi 8.76 8.99 9.22 ChEMBL
NK1 NK1R Human Tachykinin A pKi 6.23 6.38 6.56 PDSP Ki database
NK2 NK2R Human Tachykinin A pKi 8.14 9.13 9.64 PDSP Ki database
NK3 NK3R Human Tachykinin A pKi 5.89 6.16 6.43 PDSP Ki database
NK2 NK2R Bovine Tachykinin A pKi 9.15 9.15 9.15 PDSP Ki database
NK3 NK3R Guinea pig Tachykinin A pKi 6.68 6.68 6.68 PDSP Ki database
NK1 NK1R Guinea pig Tachykinin A pKi 6.66 6.66 6.66 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pIC50 8.05 8.05 8.05 ChEMBL