ENCALERET

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII EF8081AQ6G

Structure

InChI Key UNFHDRVFEQPUEL-DENIHFKCSA-N
Smiles Cc1cc(-c2ccccc2[C@@H](C)OC[C@H](O)CNC(C)(C)Cc2ccc(Cl)c(F)c2)ccc1C(=O)O
InChI
InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H33ClFNO4
Molecular Weight 514.04
AlogP 6.2
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 11.0
Polar Surface Area 78.79
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 36.0

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
- 12 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 12 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1672973
FDA SRS EF8081AQ6G
Guide to Pharmacology 9474
PubChem 46917559
SureChEMBL SCHEMBL482046
ZINC ZINC000066097848
CONTENTS