Details of the Drug

General Information of Drug (ID: DM7U81L)

Drug Name

N-Benzoyl-N'-Beta-D-Glucopyranosyl Urea

Synonyms

N-BENZOYL-N'-BETA-D-GLUCOPYRANOSYL UREA; CHEMBL489799; BZD; 2qnb; DB04295; AC1L9JVC; SCHEMBL4311564; 1k08; 1k06; BDBM50263771; 1-(beta-D-Glucopyranosyl)-3-benzoylurea; N-BENZOYL-N''-BETA-D-GLUCOPYRANOSYL UREA; N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine; N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide; N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylcarbamoyl)benzamide

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)

326.3

Logarithm of the Partition Coefficient (xlogp)

-0.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

6

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C14H18N2O7
IUPAC Name: N-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzamide
Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C14H18N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h1-5,8-11,13,17-20H,6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1
InChIKey: JSBCZGSPFATCOV-BZNQNGANSA-N