CHEMBL2402572


SMILES Cc1ccccc1[C@@H]1[C@@H](O[C@H](CO)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]2CN(C3=NC(=O)CO3)C[C@H]21
InChIKey VBUOSAKACWCALS-IOOJMYGHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 570.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 5.6 5.6 5.6 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.14 5.14 5.14 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 9.12 9.67 10.22 ChEMBL