Details of the Drug

General Information of Drug (ID: DMGRPK8)

Drug Name

PONKORANOL

Synonyms

PONKORANOL; CHEMBL1258528

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): 3

Molecular Weight (mw)

394.4

Logarithm of the Partition Coefficient (xlogp)

-4.3

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

7

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C11H22O11S2
IUPAC Name: [(2S,3S,4R,5S)-1-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)thiolan-1-ium-1-yl]-2,4,5,6-tetrahydroxyhexan-3-yl] sulfate
Canonical SMILES: C1[C@H]([C@@H]([C@H]([S+]1C[C@H]([C@H]([C@@H]([C@H](CO)O)O)OS(=O)(=O)[O-])O)CO)O)O
InChI: InChI=1S/C11H22O11S2/c12-1-5(14)10(18)11(22-24(19,20)21)7(16)4-23-3-6(15)9(17)8(23)2-13/h5-18H,1-4H2/t5-,6+,7+,8+,9-,10+,11+,23?/m0/s1
InChIKey: YCUKGYWMYZBCGT-VLLNVTNWSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Intestinal maltase-glucoamylase (MGAM)	TTXWASR	MGA_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
Intestinal maltase-glucoamylase (MGAM)	DTT	MGAM	4.59E-01	-0.02	-0.24

Molecular Expression Atlas (MEA)

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References

1	Probing the active-site requirements of human intestinal N-terminal maltase glucoamylase: the effect of replacing the sulfate moiety by a methyl et... Bioorg Med Chem Lett. 2010 Oct 1;20(19):5686-9.