Details of the Drug

General Information of Drug (ID: DMW4YK1)

Drug Name
Remogliflozin etabonate
Synonyms GSK-189075; GSK-189075A; KGT-1681
Indication
Disease Entry ICD 11 Status REF
Type-1/2 diabetes 5A10-5A11 Phase 2 [1]
Type-2 diabetes 5A11 Phase 2 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 522.6
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C26H38N2O9
IUPAC Name
ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxan-2-yl]methyl carbonate
Canonical SMILES
CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=NN(C(=C2CC3=CC=C(C=C3)OC(C)C)C)C(C)C)O)O)O
InChI
InChI=1S/C26H38N2O9/c1-7-33-26(32)34-13-20-21(29)22(30)23(31)25(36-20)37-24-19(16(6)28(27-24)14(2)3)12-17-8-10-18(11-9-17)35-15(4)5/h8-11,14-15,20-23,25,29-31H,7,12-13H2,1-6H3/t20-,21-,22+,23-,25+/m1/s1
InChIKey
UAOCLDQAQNNEAX-ABMICEGHSA-N
Cross-matching ID
PubChem CID
9871420
CAS Number
442201-24-3
DrugBank ID
DB12935
TTD ID
D0V4MB
VARIDT ID
DR01037
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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 Inhibitor [2]
Sodium/glucose cotransporter 2 (SLC5A4) TTN7Y4P SC5A4_HUMAN Blocker [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Sodium/glucose cotransporter 2 (SLC5A2) OT93UUDI SC5A2_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Type-1/2 diabetes
ICD Disease Classification 5A10-5A11
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Sodium/glucose cotransporter 2 (SLC5A4) DTT SLC5A4 3.26E-01 -0.09 -0.37
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800021813)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
4 Discovery of novel N--D-xylosylindole derivatives as sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the management of hyperglycemia in diabetes. J Med Chem. 2011 Jan 13;54(1):166-78. doi: 10.1021/jm101072y. Epub 2010 Dec 3.