CHEMBL47739


SMILES C[C@H](NC(=O)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1
InChIKey PDGYBCXJKZHOPO-SANMLTNESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 538.4

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
NK3 NK3R Human Tachykinin A pKd 8.7 8.7 8.7 ChEMBL
NK3 NK3R Human Tachykinin A pKi 8.77 8.77 8.77 ChEMBL
NK2 NK2R Human Tachykinin A pKd 8.0 8.0 8.0 ChEMBL
NK2 NK2R Human Tachykinin A pKi 9.22 9.22 9.22 ChEMBL
μ OPRM Human Opioid A pKi 5.88 5.88 5.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database