Details of the Drug

General Information of Drug (ID: DMI1O54)

Drug Name

2,5-dideoxy-2,5-imino-D-altritol

Synonyms

CHEMBL469844; 172823-15-3; CHEMBL10437; SCHEMBL2435520; CTK0A7803; DTXSID40437432; ZINC5766623; 2,5-Imino-2,5-dideoxy-D-altritol; BDBM50241865; BDBM50099008; (2R,3S,4S)-2,5-Bis-hydroxymethyl-pyrrolidine-3,4-diol; 2,5-Pyrrolidinedimethanol, 3,4-dihydroxy-, (2R,3R,4S,5R)-

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)

163.17

Logarithm of the Partition Coefficient (xlogp)

-1.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C6H13NO4
IUPAC Name: (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
Canonical SMILES: C([C@@H]1[C@H]([C@H]([C@H](N1)CO)O)O)O
InChI: InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6+/m1/s1
InChIKey: PFYHYHZGDNWFIF-KAZBKCHUSA-N

Cross-matching ID

PubChem CID: 10261406
CAS Number: 172823-15-3
TTD ID: D0SQ1T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Alpha-galactosidase A (GLA)	TTIS03D	AGAL_HUMAN	Inhibitor	[1]
Lactase-phlorizin hydrolase (LCT)	TTA0OSE	LPH_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2,5-Dideoxy-2,5-imino-d-altritol as a new class of pharmacological chaperone for Fabry disease. Bioorg Med Chem. 2010 Jun 1;18(11):3790-4.