Structure

InChI Key QANQWUQOEJZMLL-PKLMIRHRSA-N
Smiles C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl
InChI
InChI=1S/C22H22F3N.ClH/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;1H/t16-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23ClF3N
Molecular Weight 393.88
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

Mechanism of Action Action Reference
Calcium sensing receptor positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
180 - - - -

Target Conservation

Protein: Calcium sensing receptor

Description: Extracellular calcium-sensing receptor

Organism : Homo sapiens

P41180 ENSG00000036828

Cross References

Resources Reference
ChEBI 48391
ChEMBL CHEMBL1200776
FDA SRS 1K860WSG25
KEGG D03504
PubChem 156418
SureChEMBL SCHEMBL133710
ZINC ZINC01550499