cinacalcet [1933]



cinacalcet


SMILES C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIKey VDHAWDNDOKGFTD-MRXNPFEDSA-N

Chemical Properties

Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Log P 6.142
Molecular weight (Da) 357.2
Stereochemistry info full

Database connections

Structure pdb 8SZG 8SZF 8WPG 8WPU 8SZH 7M3F
Model (Boltz2) CaS
Ligand site mutations CaS

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

cinacalcet


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 1
Phase II 1
Phase III 0
Phase IV 5

Database connections

Structure pdb 8SZG 8SZF 8WPG 8WPU 8SZH 7M3F
Model (Boltz2) CaS
Ligand site mutations CaS

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score