CINACALCET

Search structure
Synonyms:
Status: Approved (2004)
Entry Type: Small molecule
Molecule Category: Parent
ATC: H05BX01
UNII: UAZ6V7728S

Structure
InChI Key VDHAWDNDOKGFTD-MRXNPFEDSA-N
Smile C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChI
InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22F3N
Molecular Weight 357.42
AlogP 6.14
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Primary Target
CaS receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Glycine receptor
320 - - - -
Membrane receptor Family C G protein-coupled receptor Ion receptor (family C GPCR) Calcium sensing receptor Calcium sensing receptor
80 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Renal Insufficiency, Chronic 3 D051436 ClinicalTrials
Hyperparathyroidism, Secondary 3 D006962 ClinicalTrials
Hyperparathyroidism 3 D006961 ClinicalTrials
Hyperparathyroidism, Primary 2 D049950 ClinicalTrials
Chronic Kidney Disease-Mineral and Bone Disorder 2 D012080 ClinicalTrials
Memory Disorders 2 D008569 ClinicalTrials
Rickets, Hypophosphatemic 1 D063730 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 226256-56-0
ChEBI 48390
ChEMBL CHEMBL1201284
DrugBank DB01012
DrugCentral 647
EPA CompTox DTXSID8048286
FDA SRS UAZ6V7728S
Human Metabolome Database HMDB0015147
Guide to Pharmacology 3308
PDB YP4
PharmGKB PA164776671
PubChem 156419
SureChEMBL SCHEMBL71876
ZINC ZINC000001550499
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