remdesivir Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
antivirals 5376 1809249-37-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • remdesivir
  • GS-5734
Remdesivir is an investigational nucleotide analog with broad-spectrum antiviral activity. Remdesivir has demonstrated in vitro and in vivo activity in animal models against the viral pathogens MERS and SARS, which are also coronaviruses and are structurally similar to COVID-19. The limited preclinical data on remdesivir in MERS and SARS indicate that remdesivir may have potential activity against COVID-19
  • Molecular weight: 602.59
  • Formula: C27H35N6O8P
  • CLOGP: 1.25
  • LIPINSKI: 2
  • HAC: 14
  • HDO: 4
  • TPSA: 203.55
  • ALOGS: -3.25
  • ROTB: 14

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
CHEBI has role CHEBI:36044 antiviral drug
CHEBI has role CHEBI:50266 prodrug
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000963 Antimetabolites
MeSH PA D000998 Antiviral Agents
MeSH PA D009676 Noxae

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Coronavirus infection off-label use 186747009

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 11.68 acidic
pKa2 12.82 acidic
pKa3 4.2 Basic
pKa4 1.68 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
SARS-CoV-2 Virus INHIBITOR EC50 6.11 SCIENTIFIC LITERATURE
Ebola virus (EBOV) Virus INHIBITOR EC50 7.06 SCIENTIFIC LITERATURE

External reference:

IDSource
3QKI37EEHE UNII
10478 INN_ID
121304016 PUBCHEM_CID
CHEBI:145994 CHEBI
C000606551 MESH_SUPPLEMENTAL_RECORD_UI
DB14761 DRUGBANK_ID
CHEMBL4065616 ChEMBL_ID
D11472 KEGG_DRUG
10715 IUPHAR_LIGAND_ID

Pharmaceutical products:

None