VELUSETRAG

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: J4VNV64ARB

Structure
InChI Key HXLOHDZQBKCUCR-WOZUAGRISA-N
Smile CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)cc2ccccc21
InChI
InChI=1S/C25H36N4O5S/c1-16(2)29-23-8-6-5-7-17(23)11-22(25(29)32)24(31)26-18-12-19-9-10-20(13-18)28(19)15-21(30)14-27(3)35(4,33)34/h5-8,11,16,18-21,30H,9-10,12-15H2,1-4H3,(H,26,31)/t18-,19+,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H36N4O5S
Molecular Weight 504.65
AlogP 1.56
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 111.95
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Serotonin 4 (5-HT4) receptor agonist PubMed
Primary Target
5-HT4 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 13
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
1-5 - - 20 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroparesis 2 D018589 ClinicalTrials
Alzheimer Disease 1 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 866933-46-2
ChEMBL CHEMBL2087337
DrugBank DB12702
FDA SRS J4VNV64ARB
Guide to Pharmacology 8425
SureChEMBL SCHEMBL2917361
ZINC ZINC000100374472
CONTENTS