FEDOVAPAGON

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Synonyms
Status
Molecule Category Free-form
UNII VX2GBO4I0V
EPA CompTox DTXSID40188331

Structure

InChI Key RUOLFWZIFNQQGH-DEOSSOPVSA-N
Smiles Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C
InChI
InChI=1S/C27H34N4O3/c1-19-17-21(25(32)30-15-7-6-10-20-9-4-5-11-23(20)30)13-14-22(19)18-28-27(34)31-16-8-12-24(31)26(33)29(2)3/h4-5,9,11,13-14,17,24H,6-8,10,12,15-16,18H2,1-3H3,(H,28,34)/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H34N4O3
Molecular Weight 462.59
AlogP 3.74
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 72.96
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Vasopressin and oxytocin receptor
24-150 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
24 - - - -
Rattus norvegicus
150 - - - 81

Cross References

Resources Reference
ChEMBL CHEMBL518043
DrugBank DB11734
FDA SRS VX2GBO4I0V
PubChem 10298385
SureChEMBL SCHEMBL2547119
ZINC ZINC000038471398
CONTENTS