EPIMER A


SMILES O=C(CN1CC2CC(=O)Nc3cccc1c32)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21
InChIKey YMMTXWRRJUTBEI-LYTHVRBOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 465.2

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
calcitonin-like CALRL Human Calcitonin B1 pKi 8.92 9.19 9.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
calcitonin-like CALRL Human Calcitonin B1 pIC50 7.62 8.15 8.62 ChEMBL