Details of the Drug

General Information of Drug (ID: DM6JB32)

Drug Name
BCX-1898
Synonyms BCX-1898
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) 356.5
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H32N4O4
IUPAC Name
(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-propylpentyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
Canonical SMILES
CCCC(CCC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)N=C(N)N)NC(=O)C
InChI
InChI=1S/C17H32N4O4/c1-4-6-10(7-5-2)14(20-9(3)22)13-12(21-17(18)19)8-11(15(13)23)16(24)25/h10-15,23H,4-8H2,1-3H3,(H,20,22)(H,24,25)(H4,18,19,21)/t11-,12+,13+,14-,15+/m0/s1
InChIKey
IIZTWIZWLKRAMW-VYDRJRHOSA-N
Cross-matching ID
PubChem CID
89337704
TTD ID
D0I1BA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Influenza Neuraminidase (Influ NA) TT50QJ3 NRAM_I33A0 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.