BAYu9773


SMILES CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)Sc1ccc(cc1)C(=O)O
InChIKey PKJINWOACFYDQN-RBVMPENBSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 17
Molecular weight (Da) 472.2

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
NK3 NK3R Human Tachykinin A pKi 7.1 7.85 8.6 Guide to Pharmacology
NK3 NK3R Rat Tachykinin A pKd 7.9 8.5 9.1 Guide to Pharmacology
NK3 NK3R Mouse Tachykinin A pKi 7.6 7.8 8.0 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pKi 8.5 8.5 8.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Rat Tachykinin A pEC50 7.9 8.35 8.8 Guide to Pharmacology
NK3 NK3R Guinea pig Tachykinin A pEC50 9.3 9.3 9.3 Guide to Pharmacology
NK3 NK3R Guinea pig Tachykinin A pIC50 7.92 7.92 7.92 ChEMBL
NK3 NK3R Rat Tachykinin A pIC50 7.96 7.96 7.96 ChEMBL
NK3 NK3R Rat Tachykinin A pEC50 7.89 9.28 10.64 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pEC50 4.46 4.46 4.46 ChEMBL
NK3 NK3R Human Tachykinin A pIC50 7.25 7.8 9.0 ChEMBL
NK3 NK3R Human Tachykinin A pEC50 7.96 8.21 8.52 ChEMBL