Details of the Drug

General Information of Drug (ID: DMGQ1TV)

Drug Name

ASP1941

Synonyms

Ipragliflozin L-proline; 951382-34-6; UNII-M6N3GK48A4; Suglat (TN); Ipragliflozin (L-Proline); M6N3GK48A4; Ipragliflozin L-proline [JAN]; Ipragliflozin L-proline (JAN); Ipragliflozin mixture with proline; DTXSID20241771; EX-A2771; L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1); HY-14894A; AKOS027321043; L-Proline, compd. with (1S)-1,5-anhydro-1-C-(3-(benzo(b)thien-2-ylmethyl)-4-fluorophenyl)-D-glucitol (1:1); AK310367; DS-11639; AC-29892; CS-0019749; D10200

Indication

Disease Entry	ICD 11	Status	REF
Liver disease	DB90-BD99	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

404.5

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C21H21FO5S
IUPAC Name: (2S,3R,4R,5S,6R)-2-[3-(1-benzothiophen-2-ylmethyl)-4-fluorophenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Canonical SMILES: C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)F
InChI: InChI=1S/C21H21FO5S/c22-15-6-5-12(21-20(26)19(25)18(24)16(10-23)27-21)7-13(15)9-14-8-11-3-1-2-4-17(11)28-14/h1-8,16,18-21,23-26H,9-10H2/t16-,18-,19+,20-,21+/m1/s1
InChIKey: AHFWIQIYAXSLBA-RQXATKFSSA-N

Cross-matching ID

PubChem CID: 10453870
ChEBI ID: CHEBI:134724
CAS Number: 761423-87-4
DrugBank ID: DB11698
TTD ID: D07FBM

Combinatorial Drugs (CBD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium/glucose cotransporter 2 (SGLT2)	TTLWPVF	SC5A2_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT01054092) A Study to Assess the Long-term Safety and Efficacy of ASP1941 in Japanese Diabetic Patients. U.S. National Institutes of Health.
2	Ipragliflozin: A novel sodium-glucose cotransporter 2 inhibitor developed in Japan.World J Diabetes.2015 Feb 15;6(1):136-44.