Details of the Drug

General Information of Drug (ID: DMVOS2C)

Drug Name

BCX-1827

Synonyms

BCX-1827; (-)-(1R,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-[[amino(imino)methyl]amino]cyclopentanecarboxylic acid; (-)-(1R,3R,4R)-3-[(1S)-1-(Acetylamino)-2-ethylbutyl]-4-{[amino(imino)methyl]amino}cyclopentanecarboxylic Acid; AC1LAL6X; Cyclopentane Derivative 50; BDBM5023; CHEMBL136111; SCHEMBL14834652; CTK6C6205; (1R,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-4-guanidino-cyclopentanecarboxylic acid; (1R,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

312.41

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H28N4O3
IUPAC Name: (1R,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
Canonical SMILES: CCC(CC)[C@@H]([C@@H]1C[C@H](C[C@H]1N=C(N)N)C(=O)O)NC(=O)C
InChI: InChI=1S/C15H28N4O3/c1-4-9(5-2)13(18-8(3)20)11-6-10(14(21)22)7-12(11)19-15(16)17/h9-13H,4-7H2,1-3H3,(H,18,20)(H,21,22)(H4,16,17,19)/t10-,11-,12-,13+/m1/s1
InChIKey: FOCBRFMNUQOMCY-LPWJVIDDSA-N

Cross-matching ID

PubChem CID: 490519
TTD ID: D0PE5T

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.