Details of the Drug

General Information of Drug (ID: DMF8C50)

Drug Name

(+)-5-deoxyadeenophorine

Synonyms

(+)-5-deoxyadeenophorine; CHEMBL380089; 262615-98-5; 5-Deoxyadenophorine; SCHEMBL17249944; CTK0I6251; DTXSID00441676; BDBM50185228; AKOS030538296; 3,4-Piperidinediol, 6-ethyl-2-(hydroxymethyl)-, (2R,3S,4S,6R)-

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)

175.23

Logarithm of the Partition Coefficient (xlogp)

-0.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C8H17NO3
IUPAC Name: (2R,3S,4S,6R)-6-ethyl-2-(hydroxymethyl)piperidine-3,4-diol
Canonical SMILES: CC[C@@H]1C[C@@H]([C@H]([C@H](N1)CO)O)O
InChI: InChI=1S/C8H17NO3/c1-2-5-3-7(11)8(12)6(4-10)9-5/h5-12H,2-4H2,1H3/t5-,6-,7+,8+/m1/s1
InChIKey: QWEWPBRDYZVGBR-NGJRWZKOSA-N

Cross-matching ID

PubChem CID: 10559165
CAS Number: 262615-98-5
TTD ID: D0V0WB

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Flexible synthesis and biological evaluation of novel 5-deoxyadenophorine analogues. Bioorg Med Chem Lett. 2006 Jun 15;16(12):3262-7.