Details of the Drug

General Information of Drug (ID: DMG2D4S)

Drug Name

AL7182

Synonyms

AL7182; 3,,4-dihydro-2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide; 1bnn; AC1L1BTX; SCHEMBL678649; CHEMBL331858; BDBM11935; DB02602; AL-7182; 2-(3-Methoxyphenyl)-6-sulfamoyl-3,4-dihydro-2H-thieno[3,2-e]-1,2-thiazine 1,1-dioxide; 2-(3-methoxyphenyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; 2-(3-methoxyphenyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide; 2-(3-methoxyphenyl)-1,1-dioxo-3H,4H-1$l^{6},7,2-thieno[3,2-e][1$l^{6},2]thiazine-6-sulfonamide

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): 0

Molecular Weight (mw)

374.5

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C13H14N2O5S3
IUPAC Name: 2-(3-methoxyphenyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Canonical SMILES: COC1=CC=CC(=C1)N2CCC3=C(S2(=O)=O)SC(=C3)S(=O)(=O)N
InChI: InChI=1S/C13H14N2O5S3/c1-20-11-4-2-3-10(8-11)15-6-5-9-7-12(22(14,16)17)21-13(9)23(15,18)19/h2-4,7-8H,5-6H2,1H3,(H2,14,16,17)
InChIKey: ICIXQGGQPKFQRL-UHFFFAOYSA-N