cinacalcet


SMILES C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F
InChIKey VDHAWDNDOKGFTD-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 357.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7M3F 8WPG 8SZF 8SZG 8SZH 8WPU
Ligand site mutations CaS

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu5 GRM5 Rat Metabotropic glutamate C pKi 4.35 4.35 4.35 Guide to Pharmacology
mGlu5 GRM5 Rat Metabotropic glutamate C pKi 8.36 8.36 8.36 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CaS CASR Human Calcium-sensing C pKB 5.9 6.25 6.6 Guide to Pharmacology
CaS CASR Human Calcium-sensing C pEC50 7.3 7.3 7.3 Guide to Pharmacology
CaS CASR Human Calcium-sensing C pEC50 6.75 7.18 7.7 ChEMBL
CaS CASR Human Calcium-sensing C pEC50 8.11 8.11 8.11 Drug Central