Details of the Drug

General Information of Drug (ID: DMUNCFQ)

Drug Name

N-Acetyl-N'-Beta-D-Glucopyranosyl Urea

Synonyms

N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA; CHEMBL443455; 1kti; DB03218; AC1L9K3W; SCHEMBL4307948; BDBM50263770; N-Acetyl-N'-(beta-D-glucopyranosyl)urea; N-(acetylcarbamoyl)-beta-D-glucopyranosylamine; N-ACETYL-N''-BETA-D-GLUCOPYRANOSYL UREA; N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide; N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylcarbamoyl)acetamide

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): 1

Molecular Weight (mw)

264.23

Logarithm of the Partition Coefficient (xlogp)

-1.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C9H16N2O7
IUPAC Name: N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]acetamide
Canonical SMILES: CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C9H16N2O7/c1-3(13)10-9(17)11-8-7(16)6(15)5(14)4(2-12)18-8/h4-8,12,14-16H,2H2,1H3,(H2,10,11,13,17)/t4-,5-,6+,7-,8-/m1/s1
InChIKey: UQKBNLXZEGBQAF-JAJWTYFOSA-N