Details of the Drug

General Information of Drug (ID: DME78MS)

Drug Name

O2-Sulfo-Glucuronic Acid

Synonyms

IDS

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): 1

Molecular Weight (mw)

274.2

Logarithm of the Partition Coefficient (xlogp)

-2.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C6H10O10S
IUPAC Name: (2R,3R,4R,5S,6S)-3,4,6-trihydroxy-5-sulfooxyoxane-2-carboxylic acid
Canonical SMILES: [C@H]1([C@H]([C@@H](O[C@@H]([C@H]1OS(=O)(=O)O)O)C(=O)O)O)O
InChI: InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3-,4+,6+/m1/s1
InChIKey: COJBCAMFZDFGFK-SZXBDDMQSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Heparin-binding growth factor 1 (FGF1)	TTMY81X	FGF1_HUMAN	Inhibitor	[1]
Hepatocyte growth factor (HGF)	TT4V2JM	HGF_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Hepatocyte growth factor (HGF)	DTT	HGF	4.90E-01	0.13	2.73
Hepatocyte growth factor (HGF)	DTT	HGF	1.98E-07	1.58	2.92

Molecular Expression Atlas (MEA)

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References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.