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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3040582
CHEMBL3040582
Compound Name DELDEPREVIR
ChEMBL Synonyms ACH-2684 | ACH-0142684.NA | ACH-0142684 | DELDEPREVIR SODIUM | DELDEPREVIR | ACH-2684.NA
Max Phase 0
Trade Names
Molecular Formula C45H56F2N6O8S2

Additional synonyms for CHEMBL3040582 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@@H](CC(=O)N5CCCC(F)(F ...
Download SMILES
Standard InChI InChI=1S/C45H56F2N6O8S2/c1-26(2)34-24-62-41(49-34)33-21-37(3 ...
Download InChI
Standard InChI Key UDMJANYPQWEDFT-ZAWFUYGJSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL3040582

Molecule Features

CHEMBL3040582 compound icon
Drug Type:Natural Product-derived 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

Clinical Data

ClinicalTrials.gov DELDEPREVIR
The Cochrane Collaboration DELDEPREVIR

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
911.1 910.3569 5.45 10 213.81 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 2 14 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.43 2.9 6.3 4.35 3 63 0.25

Structural Alerts

There are 2 structural alerts for CHEMBL3040582. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UDMJANYPQWEDFT-ZAWFUYGJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3040582



FDA SRS 5ZT4SBY0BD
PubChem 56935739
PubChem: Thomson Pharma 135635534
SureChEMBL SCHEMBL13291708
ZINC ZINC000150572809

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