Details of the Drug

General Information of Drug (ID: DMCZHBI)

Drug Name

N-(Propylamide-benzophenone)-1-deoxynojirimycin

Synonyms

CHEMBL590070; N-(Propylamide-benzophenone)-1-deoxynojirimycin; BDBM50308672

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)

482.5

Logarithm of the Partition Coefficient (xlogp)

0.9

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C26H30N2O7
IUPAC Name: 4-(4-prop-2-ynoxybenzoyl)-N-[3-[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
Canonical SMILES: C#CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NCCCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O
InChI: InChI=1S/C26H30N2O7/c1-2-14-35-20-10-8-18(9-11-20)23(31)17-4-6-19(7-5-17)26(34)27-12-3-13-28-15-22(30)25(33)24(32)21(28)16-29/h1,4-11,21-22,24-25,29-30,32-33H,3,12-16H2,(H,27,34)/t21-,22+,24-,25-/m1/s1
InChIKey: ISWDTKRAKJESLP-PEISPCAHSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Nanomolar affinity, iminosugar-based chemical probes for specific labeling of lysosomal glucocerebrosidase. Bioorg Med Chem. 2010 Jan 1;18(1):267-73.