Details of the Drug

General Information of Drug (ID: DMT7RXZ)

Drug Name

E-pentenylbutanedioic acid 32

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

210.1

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C10H12Li2O4
IUPAC Name: dilithium;(E)-2-(4-methylpent-4-enyl)but-2-enedioate
Canonical SMILES: [Li+].[Li+].CC(=C)CCC/C(=C\\C(=O)[O-])/C(=O)[O-]
InChI: InChI=1S/C10H14O4.2Li/c1-7(2)4-3-5-8(10(13)14)6-9(11)12;;/h6H,1,3-5H2,2H3,(H,11,12)(H,13,14);;/q;2*+1/p-2/b8-6+;;
InChIKey: GPRQQRASSGZCNY-OVGXCEQFSA-L

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Undecaprenyl pyrophosphate synthetase (Bact ispU)	TT5VER7	UPPS_ECOLI	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and biological activity of isopentenyl diphosphate analogues. Bioorg Med Chem. 2004 Feb 15;12(4):763-70.