BMS-986094

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Synonyms
Status
Molecule Category Free-form
UNII 62F4AD749Y
EPA CompTox DTXSID00154017

Structure

InChI Key YFXGICNMLCGLHJ-RSKRLRQZSA-N
Smiles COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)[C@@H](O)[C@@]1(C)O
InChI
InChI=1S/C30H39N6O9P/c1-17(26(38)42-15-29(2,3)4)35-46(40,45-20-13-9-11-18-10-7-8-12-19(18)20)43-14-21-23(37)30(5,39)27(44-21)36-16-32-22-24(36)33-28(31)34-25(22)41-6/h7-13,16-17,21,23,27,37,39H,14-15H2,1-6H3,(H,35,40)(H2,31,33,34)/t17-,21+,23+,27+,30+,46?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H39N6O9P
Molecular Weight 658.65
AlogP 3.35
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 202.4
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 46.0

Pharmacology

Mechanism of Action Action Reference
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor INHIBITOR PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis C virus
10-20 - - - -
Hepatitis C virus subtype 1b
10-10 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL1209734
DrugBank DB11966
FDA SRS 62F4AD749Y
PubChem 46700744
SureChEMBL SCHEMBL14934186
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