PALOSURAN

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Synonyms
Status
Molecule Category Free-form
UNII ULD9ZKE457
EPA CompTox DTXSID00202406

Structure

InChI Key WYJCYXOCHXWTHG-UHFFFAOYSA-N
Smiles Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc2n1
InChI
InChI=1S/C25H30N4O2/c1-19-17-23(21-9-5-6-10-22(21)27-19)28-24(30)26-13-16-29-14-11-25(31,12-15-29)18-20-7-3-2-4-8-20/h2-10,17,31H,11-16,18H2,1H3,(H2,26,27,28,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H30N4O2
Molecular Weight 418.54
AlogP 3.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 77.49
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Urotensin II receptor antagonist ANTAGONIST PubMed
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) Neuropeptide receptor
- 39-320 - 41 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 39-320 - 41 -

Target Conservation

Protein: Urotensin II receptor
Description: Urotensin-2 receptor
Organism : Homo sapiens
Q9UKP6 ENSG00000181408

Cross References

Resources Reference
ChEMBL CHEMBL567303
FDA SRS ULD9ZKE457
Guide to Pharmacology 3516
PubChem 10173280
SureChEMBL SCHEMBL1363480
ZINC ZINC000034375693
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