BMS-986094

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 62F4AD749Y

Structure
InChI Key YFXGICNMLCGLHJ-RSKRLRQZSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 2 D006526 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1234490-83-5
ChEMBL CHEMBL1209734
DrugBank DB11966
EPA CompTox DTXSID00154017
FDA SRS 62F4AD749Y
PubChem 46700744
SureChEMBL SCHEMBL14934186
CONTENTS