Details of the Drug

General Information of Drug (ID: DM1JIVR)

Drug Name

AL6528

Synonyms

AL6528; 2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazine-6-sulfinamide-1,1-dioxide; 2-(3-methoxyphenyl)-2h-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; 1bn3; AC1L1BMR; CTK7A9592; BDBM11938; DB04371; 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide; 2-(3-methoxyphenyl)-1,1-dioxo-2H-1$l^{6},7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide; 2-(3-Methoxyphenyl)-6-sulfamoyl-2H-thieno[3,2-e]-1,2-thiazine 1,1-dioxide

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)

372.4

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C13H12N2O5S3
IUPAC Name: 2-(3-methoxyphenyl)-1,1-dioxothieno[3,2-e]thiazine-6-sulfonamide
Canonical SMILES: COC1=CC=CC(=C1)N2C=CC3=C(S2(=O)=O)SC(=C3)S(=O)(=O)N
InChI: InChI=1S/C13H12N2O5S3/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/h2-8H,1H3,(H2,14,16,17)
InChIKey: FBBLOSCXOZYUSS-UHFFFAOYSA-N