PF-03635659

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Synonyms
Status
Molecule Category Free-form
UNII O0RG3QM34H

Structure

InChI Key WGOJWDWKHJHXSV-UHFFFAOYSA-N
Smiles CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1
InChI
InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H32N2O3
Molecular Weight 444.58
AlogP 4.49
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 75.79
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 1.53 - 0.115-0.2 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 1.53 - - -
Homo sapiens
- - - 0.115-0.2 -

Cross References

Resources Reference
ChEMBL CHEMBL1910856
DrugBank DB12408
FDA SRS O0RG3QM34H
PubChem 16065403
SureChEMBL SCHEMBL1923213
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