TECALCET

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8I16YLE4US

Structure
InChI Key ZVQUCWXZCKWZBP-CQSZACIVSA-N
Smile COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1
InChI
InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22ClNO
Molecular Weight 303.83
AlogP 4.63
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 21.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family C G protein-coupled receptor Ion receptor (family C GPCR) Calcium sensing receptor Calcium sensing receptor
80-194 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL292376
EPA CompTox DTXSID90164084
FDA SRS 8I16YLE4US
Guide to Pharmacology 718
PubChem 158797
SureChEMBL SCHEMBL311950
ZINC ZINC000001538900
CONTENTS