Details of the Drug

General Information of Drug (ID: DM180VX)

Drug Name

SC-49483

Synonyms

Glycovir; 131262-82-3; UNII-QXJ91425UL; DRG-0193; NSC 670880; Perbutylated-N-butyl-1-deoxynojiromycin; SC 49483; QXJ91425UL; N-Butyl DNJ Prodrug; Butanoic acid, 1-butyl-2-((1-oxobutoxy)methyl)-3,4,5-piperidinetriyl ester, (2R-(2alpha,3beta,4alpha,5beta))-; SC-48334 Prodrug; NSC670880; SC49483; AC1L1TYK; 1,5-(Butylimino)-1-5-dideoxy-D-glucitol tetrabutanoate; AC1Q60AI; SCHEMBL5967912; DTXSID10156986; NSC-670880; DB13106; LS-46130; 1-Butyl-2R,4.alpha.,5.beta.-piperidinetriyl butanoate

Indication

Disease Entry	ICD 11	Status	REF
Acquired immune deficiency syndrome	1C62.3	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

499.6

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

20

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C26H45NO8
IUPAC Name: [(2R,3R,4R,5S)-3,4,5-tri(butanoyloxy)-1-butylpiperidin-2-yl]methyl butanoate
Canonical SMILES: CCCCN1C[C@@H]([C@H]([C@@H]([C@H]1COC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC
InChI: InChI=1S/C26H45NO8/c1-6-11-16-27-17-20(33-22(29)13-8-3)26(35-24(31)15-10-5)25(34-23(30)14-9-4)19(27)18-32-21(28)12-7-2/h19-20,25-26H,6-18H2,1-5H3/t19-,20+,25-,26-/m1/s1
InChIKey: MKGDNVHZSCXBKR-KYVQNOJUSA-N

Cross-matching ID

PubChem CID: 60807
CAS Number: 131262-82-3
DrugBank ID: DB13106
TTD ID: D0O1HL

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	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Acquired immune deficiency syndrome

ICD Disease Classification

1C62.3

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)

MEA Detail

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References

1	ClinicalTrials.gov (NCT00000791) A Phase II Double-Blind Study of Two Doses of SC-49483 in Combination With Zidovudine (ZDV) Versus ZDV. U.S. National Institutes of Health.
2	Pathology of perbutylated-N-butyl-1-deoxynojiromycin (an alpha-glucosidase-1 inhibitor) in Sprague-Dawley rats. Toxicol Pathol. 1996 Sep-Oct;24(5):531-8.