PF-04995274

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Synonyms
Status
Molecule Category Free-form
UNII XI179PG9LV

Structure

InChI Key WLLOFQROROXOMO-GOSISDBHSA-N
Smiles OC1(CN2CCC(COc3noc4cccc(O[C@@H]5CCOC5)c34)CC2)CCOCC1
InChI
InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32N2O6
Molecular Weight 432.52
AlogP 2.63
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 86.42
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 13
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
0.2-1.5 - - 0.15-0.46 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - 0.3 -
Homo sapiens
0.2-1.5 - - 0.15-0.46 13
Macaca mulatta
- - - 0.27 -
Rattus norvegicus
0.59-0.65 - - 0.3 -

Cross References

Resources Reference
ChEMBL CHEMBL2152922
DrugBank DB12675
FDA SRS XI179PG9LV
Guide to Pharmacology 9059
PubChem 53354764
SureChEMBL SCHEMBL619629
ZINC ZINC000095577747
CONTENTS