Details of the Drug

General Information of Drug (ID: DMG9C4I)

Drug Name
Galidesivir
Synonyms 1EL1K52SH1; BCX 4430; BCX 4430 HCl; BCX4430; CS-3778; Galidesivir (hydrochloride); HY-18649; Immucillin-A; SB16943; SCHEMBL4838048; UNII-1EL1K52SH1
Indication
Disease Entry ICD 11 Status REF
Coronavirus Disease 2019 (COVID-19) 1D6Y Phase 1 [1]
Middle East Respiratory Syndrome (MERS) 1D64 Preclinical [2]
Severe acute respiratory syndrome (SARS) 1D65 Preclinical [2]
Therapeutic Class
Antiviral Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 265.27
Logarithm of the Partition Coefficient (xlogp) -2.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C11H15N5O3
IUPAC Name
(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Canonical SMILES
C1=C(C2=C(N1)C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O
InChI
InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1
InChIKey
AMFDITJFBUXZQN-KUBHLMPHSA-N
Cross-matching ID
PubChem CID
10445549
ChEBI ID
CHEMBL1236524
CAS Number
249503-25-1
UNII
OLF97F86A7
DrugBank ID
DB11676
TTD ID
D04CWI
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
COVID-19 RNA-directed RNA polymerase (RdRp) TTV1095 R1AB_SARS2 (4393-5324) Blocker [3]
MERS-CoV RNA-directed RNA polymerase (RdRp) TTOA6YT R1AB_CVEMC (4378-5310) Inhibitor [2]
SARS-CoV RNA-directed RNA polymerase (RdRp) TTKXI53 R1AB_CVHSA (4370-5301) Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03891420) A Study to Evaluate the Safety, Pharmacokinetics and Antiviral Effects of Galidesivir in Yellow Fever or COVID-19. U.S. National Institutes of Health.
2 Coronaviruses - drug discovery and therapeutic options. Nat Rev Drug Discov. 2016 May;15(5):327-47.
3 BioCryst Begins Clinical Trial with Galidesivir for Treatment of Patients with COVID-19