Details of the Drug

General Information of Drug (ID: DMKP7O0)

Drug Name

2,5-dideoxy-2,5-imino-dl-glycero-D-manno-heptitol

Synonyms

CHEMBL456077; 2,5-dideoxy-2,5-imino-dl-glycero-D-manno-heptitol; 2,5-dideoxy-2,5-imino-D-glycero-D-manno-heptitol; SCHEMBL5851667; BDBM50242071

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): 2

Molecular Weight (mw)

193.2

Logarithm of the Partition Coefficient (xlogp)

-2.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C7H15NO5
IUPAC Name: (2R,3R,4R,5R)-2-(1,2-dihydroxyethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Canonical SMILES: C([C@@H]1[C@H]([C@@H]([C@H](N1)C(CO)O)O)O)O
InChI: InChI=1S/C7H15NO5/c9-1-3-6(12)7(13)5(8-3)4(11)2-10/h3-13H,1-2H2/t3-,4?,5-,6-,7-/m1/s1
InChIKey: ZJRUOSSQTZGFJV-UHEPRFFZSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lactase-phlorizin hydrolase (LCT)	TTA0OSE	LPH_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Nitrogen-containing furanose and pyranose analogues from Hyacinthus orientalis. J Nat Prod. 1998 May;61(5):625-8.