ABT-072

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: PSQ4R5K1QI

Structure
InChI Key XMZSTQYSBYEENY-RMKNXTFCSA-N
Smile COc1c(/C=C/c2ccc(NS(C)(=O)=O)cc2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
InChI
InChI=1S/C24H27N3O5S/c1-24(2,3)20-15-19(27-13-12-21(28)25-23(27)29)14-17(22(20)32-4)9-6-16-7-10-18(11-8-16)26-33(5,30)31/h6-15,26H,1-5H3,(H,25,28,29)/b9-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27N3O5S
Molecular Weight 469.56
AlogP 3.37
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 110.26
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor PubMed

Indications

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

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1132936-00-5
ChEMBL CHEMBL4076467
DrugBank DB15156
FDA SRS PSQ4R5K1QI
PubChem 57775240
SureChEMBL SCHEMBL479128
ZINC ZINC000113918524
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