SAMATASVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 21P699C5FC

Structure
InChI Key ATOLIHZIXHZSBA-BTSKBWHGSA-N
Smile COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3csc4c(-c5ccc(-c6c[nH]c([C@@H]7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)n6)cc5)csc34)ccc2[nH]1)C(C)C
InChI
InChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C47H48N8O6S2
Molecular Weight 885.08
AlogP 9.37
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 174.64
Molecular species NEUTRAL
Aromatic Rings 7.0
Heavy Atoms 63.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Hepatitis C 1 D006526 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1312547-19-5
ChEMBL CHEMBL3039519
DrugBank DB12660
EPA CompTox DTXSID70156982
FDA SRS 21P699C5FC
PubChem 58310140
SureChEMBL SCHEMBL18873457
ZINC ZINC000150588806
CONTENTS