Details of the Drug

General Information of Drug (ID: DMSD2U1)

Drug Name

AL5424

Synonyms

3,4-dihydro-4-hydroxy-2-(4-methoxyphenyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide; AC1L1BUI; SCHEMBL678716; CTK7A4444; BDBM11933; 4-hydroxy-2-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

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)

390.5

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C13H14N2O6S3
IUPAC Name: (4R)-4-hydroxy-2-(4-methoxyphenyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Canonical SMILES: COC1=CC=C(C=C1)N2C[C@@H](C3=C(S2(=O)=O)SC(=C3)S(=O)(=O)N)O
InChI: InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)/t11-/m0/s1
InChIKey: ZWTSOJQGEWPWGO-NSHDSACASA-N