Details of the Drug

General Information of Drug (ID: DMHG54F)

Drug Name

AL4623

Synonyms

AL4623; UNII-1M7AKN51DU; 1M7AKN51DU; (r)-4-ethylamino-3,4-dihydro-2-(2-methoylethyl)-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide; 1bnq; AC1N9ZNF; AL-4623A free base; SCHEMBL7508613; BDBM11934; AL-4623; DB03877; 138890-59-2; (4R)-4-(ethylamino)-2-(2-methoxyethyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; 2H-Thieno(3,2-E)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(2-methoxyethyl)-, 1,1-dioxide, (4R)-

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)

369.5

Logarithm of the Partition Coefficient (xlogp)

-0.6

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C11H19N3O5S3
IUPAC Name: (4R)-4-(ethylamino)-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Canonical SMILES: CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCOC
InChI: InChI=1S/C11H19N3O5S3/c1-3-13-9-7-14(4-5-19-2)22(17,18)11-8(9)6-10(20-11)21(12,15)16/h6,9,13H,3-5,7H2,1-2H3,(H2,12,15,16)/t9-/m0/s1
InChIKey: XACIEZJJSXJZMD-VIFPVBQESA-N