LOMIBUVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 37L2LF4A2D

Structure
InChI Key WPMJNLCLKAKMLA-VVPTUSLJSA-N
Smile CC(C)(C)C#Cc1cc(N(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]2CC[C@H](O)CC2)c(C(=O)O)s1
InChI
InChI=1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)/t16-,17-,18-,19-

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H35NO4S
Molecular Weight 445.63
AlogP 5.31
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 77.84
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
NEGATIVE ALLOSTERIC MODULATOR Hepatitis C virus NS5B RNA-dependent RNA polymerase negative allosteric modulator PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
30-320 - - - -
Unclassified protein
7-8100 - - - -

Indications

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3039503
DrugBank DB11954
FDA SRS 37L2LF4A2D
SureChEMBL SCHEMBL134631
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