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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2107777
CHEMBL2107777
Compound Name SATAVAPTAN
ChEMBL Synonyms SR121463B | SR121463F | SR121463 | SR 121463A | SATAVAPTAN
Max Phase 3
Trade Names
Molecular Formula C33H45N3O7S

Additional synonyms for CHEMBL2107777 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccc2N(C(=O)[C@@]3(CC[C@H](CCN4CCOCC4)CC3)c2c1)S(=O)(=O) ...
Download SMILES
Standard InChI InChI=1S/C33H45N3O7S/c1-6-43-25-8-9-27-26(22-25)33(14-11-23( ...
Download InChI
Standard InChI Key CDSBFDCCJJDFCV-CKZSCMLPSA-N

Sources

  • Clinical Candidates
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2107777

Molecule Features

CHEMBL2107777 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Vasopressin V2 receptor antagonist Vasopressin V2 receptor PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov SATAVAPTAN
The Cochrane Collaboration SATAVAPTAN

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
627.8 627.2978 4.36 10 122.86 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 1 10 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.48 5.85 5.5 2 44 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL2107777. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CDSBFDCCJJDFCV-CKZSCMLPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2107777




UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CDSBFDCCJJDFCV-CKZSCMLPSA-N spacer
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