Details of the Drug

General Information of Drug (ID: DMHIS6Z)

Drug Name
Apilimod
Synonyms Apilimod; STA 5326; STA-5326; GFW2K84S4L; STA5326; Apilimod [INN]; EX-A908
Indication
Disease Entry ICD 11 Status REF
Coronavirus Disease 2019 (COVID-19) 1D6Y Preclinical [1]
Therapeutic Class
Antiviral Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 418.5
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C23H26N6O2
IUPAC Name
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
Canonical SMILES
CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4
InChI
InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+
InChIKey
HSKAZIJJKRAJAV-KOEQRZSOSA-N
Cross-matching ID
PubChem CID
10173277
CAS Number
541550-19-0
DrugBank ID
DB05611
TTD ID
D0H7HR
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HUMAN phosphatidylinositol 3-phosphate 5-kinase (PIKfyve) TT0S3MP FYV1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 A Large-scale Drug Repositioning Survey for SARS-CoV-2 Antivirals. April 17, 2020.