REMDESIVIR

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
UNII: 3QKI37EEHE

Structure
InChI Key RWWYLEGWBNMMLJ-YSOARWBDSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Replicase polyprotein 1ab inhibitor PubMed PubMed PubMed FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 4 D045169 ClinicalTrials
Severe Acute Respiratory Syndrome 4 D045169 ClinicalTrials
Hemorrhagic Fever, Ebola 2 D019142 ClinicalTrials
Respiratory Distress Syndrome 2 D012128 ClinicalTrials
Pneumonia, Viral 1 D011024 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 1809249-37-3
ChEBI 145994
ChEMBL CHEMBL4065616
DrugBank DB14761
DrugCentral 5376
FDA SRS 3QKI37EEHE
Guide to Pharmacology 10715
PubChem 121304016
SureChEMBL SCHEMBL17712225
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