Details of the Drug

General Information of Drug (ID: DMRI08C)

Drug Name

AL7099A

Synonyms

AL7099A; (s)-3,4-dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide; 1bnv; AC1N9ZNC; SCHEMBL678443; BDBM11937; AL7099; DB03221; (4S)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide; (4S)-2-(3-methoxyphenyl)-4-(methylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; (4S)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-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)

403.5

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C14H17N3O5S3
IUPAC Name: (4S)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
Canonical SMILES: CN[C@@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C3=CC(=CC=C3)OC
InChI: InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m1/s1
InChIKey: RMOXCYSVWCHXII-GFCCVEGCSA-N