Details of the Drug

General Information of Drug (ID: DMUK6HC)

Drug Name

N-5984

Synonyms

N-5984; SCHEMBL364457; XSOXUIXLUNBLJA-RNRVQEDPSA-N; 6-(2-(R)-((2-(R)-(3-chlorophenyl)-2-hydroxyethyl)amino)-propyl)-2,3-dihydro-1,4-benzodioxin-2-(R)-carboxylic acid; 6-(2-(R)-((2-(R)-(3-chlorophenyl)-2-hydroxyethyl)amino )-propyl)-2,3-dihydro-1,4-benzodioxin-2-(R)-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Phase 2	[1]
Type-2 diabetes	5A11	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

391.8

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C20H22ClNO5
IUPAC Name: (2R)-6-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
Canonical SMILES: C[C@H](CC1=CC2=C(C=C1)O[C@H](CO2)C(=O)O)NC[C@@H](C3=CC(=CC=C3)Cl)O
InChI: InChI=1S/C20H22ClNO5/c1-12(22-10-16(23)14-3-2-4-15(21)9-14)7-13-5-6-17-18(8-13)26-11-19(27-17)20(24)25/h2-6,8-9,12,16,19,22-23H,7,10-11H2,1H3,(H,24,25)/t12-,16+,19-/m1/s1
InChIKey: XSOXUIXLUNBLJA-RNRVQEDPSA-N