DACLATASVIR DIHYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 50ZO25C11D

Structure

InChI Key BVZLLUDATICXCI-JMSCDMLISA-N
Smiles COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.Cl.Cl
InChI
InChI=1S/C40H50N8O6.2ClH/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6;;/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52);2*1H/t31-,32-,33-,34-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H52Cl2N8O6
Molecular Weight 811.81
AlogP 6.22
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 174.64
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 54.0

Pharmacology

Mechanism of Action Action Reference
Nonstructural protein 5A inhibitor INHIBITOR DailyMed

Cross References

Resources Reference
ChEBI 83800
ChEMBL CHEMBL2303621
FDA SRS 50ZO25C11D
SureChEMBL SCHEMBL17870647
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