CHEMBL2035983


SMILES C[C@@]1(c2cc(F)cc(F)c2)CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChIKey IDKKNSOZWQOAAS-KYJUHHDHSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 572.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
calcitonin-like CALRL Mouse Calcitonin B1 pKi 7.72 7.72 7.72 ChEMBL
calcitonin-like CALRL Rat Calcitonin B1 pKi 7.77 7.77 7.77 ChEMBL
calcitonin-like CALRL Human Calcitonin B1 pKi 10.28 10.28 10.28 ChEMBL
calcitonin-like CALRL Human Calcitonin B1 pKd 9.84 9.84 9.84 ChEMBL
CT CALCR Human Calcitonin B1 pKi 5.5 5.5 5.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
calcitonin-like CALRL Human Calcitonin B1 pIC50 9.47 9.55 9.64 ChEMBL