Details of the Drug

General Information of Drug (ID: DMS98WA)

Drug Name
3-(2-adamantyl) pyrrolidine
Synonyms 3-(2-adamantyl)pyrrolidine; AC1MHVT3; CHEMBL67992; SCHEMBL587443; AKOS023848508; Pyrrolidine, 3-tricyclo[3.3.1.13,7]dec-2-yl-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 205.34
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C14H23N
IUPAC Name
3-(2-adamantyl)pyrrolidine
Canonical SMILES
C1CNCC1C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C14H23N/c1-2-15-8-11(1)14-12-4-9-3-10(6-12)7-13(14)5-9/h9-15H,1-8H2
InChIKey
IULGEPJXNLPTSZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3012268
TTD ID
D06IGJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Influenza M2 protein (Influ M) TTXT3PU M2_I34A1 Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Antiviral agents active against influenza A viruses. Nat Rev Drug Discov. 2006 Dec;5(12):1015-25.