Details of the Drug

General Information of Drug (ID: DM1QJIV)

Drug Name

AL5300

Synonyms

AC1L1BUF; SCHEMBL5080690; BDBM11932; CTK8A0654; 4-hydroxy-2-(thiophen-2-ylmethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; 4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-2H,3H,4H-1$l^{6},7,2-thieno[3,2-e][1,2]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)

380.5

Logarithm of the Partition Coefficient (xlogp)

0.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C11H12N2O5S4
IUPAC Name: (4R)-4-hydroxy-1,1-dioxo-2-(thiophen-2-ylmethyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Canonical SMILES: C1[C@@H](C2=C(SC(=C2)S(=O)(=O)N)S(=O)(=O)N1CC3=CC=CS3)O
InChI: InChI=1S/C11H12N2O5S4/c12-21(15,16)10-4-8-9(14)6-13(5-7-2-1-3-19-7)22(17,18)11(8)20-10/h1-4,9,14H,5-6H2,(H2,12,15,16)/t9-/m0/s1
InChIKey: HHPUQNGRNUOYCD-VIFPVBQESA-N