LIXIVAPTAN

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8F5X4B082E

Structure
InChI Key PPHTXRNHTVLQED-UHFFFAOYSA-N
Smile Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1
InChI
InChI=1S/C27H21ClFN3O2/c1-17-8-9-19(29)13-23(17)26(33)30-20-10-11-22(24(28)14-20)27(34)32-16-21-6-4-12-31(21)15-18-5-2-3-7-25(18)32/h2-14H,15-16H2,1H3,(H,30,33)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H21ClFN3O2
Molecular Weight 473.94
AlogP 6.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 54.34
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Vasopressin V2 receptor antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - -6.12-29.92
Enzyme
- - - - -6.12-29.92
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -3.78--1.78
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Vasopressin and oxytocin receptor
- 1-91 - 2.3-90 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyponatremia 3 D007010 ClinicalTrials
Polycystic Kidney, Autosomal Dominant 3 D016891 ClinicalTrials
Polycystic Kidney Diseases 3 D007690 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 168079-32-1
ChEMBL CHEMBL49429
DrugBank DB06666
EPA CompTox DTXSID00168472
FDA SRS 8F5X4B082E
Guide to Pharmacology 2238
PubChem 172997
SureChEMBL SCHEMBL1649340
ZINC ZINC000000600399
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