PALOSURAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ULD9ZKE457

Structure
InChI Key WYJCYXOCHXWTHG-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Urotensin II receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 9.53-19.47
Enzyme
- - - - 9.53-19.47
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -13.48--3.32
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 4.17
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neuropeptide receptor
- 39-320 - 41 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - - 15.58
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - - 13.73
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 1018.35 16.25
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 595.52 10.71
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 31
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 138.8 11.49
Membrane receptor
- 39-320 - 1018.35 10.71
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 1087.42 43.86

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL567303
EPA CompTox DTXSID00202406
FDA SRS ULD9ZKE457
Guide to Pharmacology 3516
PubChem 10173280
SureChEMBL SCHEMBL1363480
ZINC ZINC000034375693
CONTENTS