talnetant


SMILES CC[C@@H](c1ccccc1)NC(=O)c1c(O)c(nc2c1cccc2)c1ccccc1
InChIKey BIAVGWDGIJKWRM-FQEVSTJZSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 382.2

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
NK2 NK2R Human Tachykinin A pKi 6.8 6.85 6.9 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pKi 7.4 8.2 9.0 Guide to Pharmacology
NK3 NK3R Rat Tachykinin A pKi 7.3 7.35 7.4 Guide to Pharmacology
NK3 NK3R Guinea pig Tachykinin A pKi 8.3 8.36 8.42 ChEMBL
NK3 NK3R Guinea pig Tachykinin A pKd 7.81 7.86 7.91 ChEMBL
NK3 NK3R Rat Tachykinin A pKi 6.7 6.71 6.72 ChEMBL
NK3 NK3R Human Tachykinin A pKi 6.59 8.14 9.0 ChEMBL
NK3 NK3R Human Tachykinin A pKd 6.64 8.06 8.63 ChEMBL
NK2 NK2R Human Tachykinin A pKi 5.4 6.13 6.84 ChEMBL
NK1 NK1R Human Tachykinin A pKi 4.9 4.9 4.9 ChEMBL
μ OPRM Human Opioid A pKi 5.73 5.73 5.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 7.78 8.17 8.62 ChEMBL