REMDESIVIR

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Synonyms
Status
Molecule Category Free-form
UNII 3QKI37EEHE

Structure

InChI Key RWWYLEGWBNMMLJ-YSOARWBDSA-N
Smiles CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1
InChI
InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H35N6O8P
Molecular Weight 602.59
AlogP 2.31
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 203.55
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

Mechanism of Action Action Reference
RNA-directed RNA polymerase L inhibitor INHIBITOR PubMed PubMed Other FDA
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ebolavirus
53-140 320 - - -
Hepatitis C virus subtype 1b
57 - - - -
Homo sapiens
- 110-140 - - -
Human coronavirus 229E
24 - - - -
Human coronavirus OC43
150 700 - - -
Human respiratory syncytial virus
15 - - - -
Human respiratory syncytial virus A2
15 - - - -
Middle East respiratory syndrome coronavirus
74 - - - -
Respiratory syncytial virus
49 - - - -
SARS coronavirus
69 - - - -
Severe acute respiratory syndrome coronavirus 2
10-870 2-850 - - 65
Severe acute respiratory syndrome-related coronavirus 60 - - - -

Related Entries

Cross References

Resources Reference
ChEBI 145994
ChEMBL CHEMBL4065616
DrugBank DB14761
DrugCentral 5376
FDA SRS 3QKI37EEHE
Guide to Pharmacology 10715
PubChem 121304016
SureChEMBL SCHEMBL17712225
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