FEDOVAPAGON

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VX2GBO4I0V

Structure
InChI Key RUOLFWZIFNQQGH-DEOSSOPVSA-N
Smile 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
150 - - 2000 -

Indications

Mesh Heading Maximum Phase Reference
Nocturia Phase 1 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 347887-36-9
ChEMBL CHEMBL518043
DrugBank DB11734
EPA CompTox DTXSID40188331
FDA SRS VX2GBO4I0V
PubChem 10298385
SureChEMBL SCHEMBL2547119
ZINC ZINC000038471398
CONTENTS