Details of the Drug

General Information of Drug (ID: DMBYDNE)

Drug Name
Managlinat dialanetil
Synonyms
CS-917; GP-3034; MB-05032; MB-06322; MB-06633; MB-6322; R-132917; Type 2 diabetes therapeutic, Gensia/Sankyo; Type 2 diabetes therapeutic, SICOR/Sankyo; Diabetes therapeutics, Metabasis/Sanyko/Daiichi Sankyo; Purine nucleotide analogs, Gensia/Sankyo/Daiichi Sankyo; Purine nucleotide analogs, Metabasis/Sanyko/Daiichi Sankyo; Purine nucleotide analogs, SICOR/Sankyo/Daiichi Sankyo
Indication
Disease Entry ICD 11 Status REF
Type-2 diabetes 5A11 Phase 2 [1]
Affected Organisms
Humans and other mammals
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 484.6
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C21H33N4O5PS
IUPAC Name
ethyl (2S)-2-[[[5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphanyl]amino]propanoate
Canonical SMILES
CCOC(=O)[C@H](C)NP(C1=CC=C(O1)C2=C(SC(=N2)N)CC(C)C)N[C@@H](C)C(=O)OCC
InChI
InChI=1S/C21H33N4O5PS/c1-7-28-19(26)13(5)24-31(25-14(6)20(27)29-8-2)17-10-9-15(30-17)18-16(11-12(3)4)32-21(22)23-18/h9-10,12-14,24-25H,7-8,11H2,1-6H3,(H2,22,23)/t13-,14-/m0/s1
InChIKey
JGCMEVUWRCNKKE-KBPBESRZSA-N
Cross-matching ID
PubChem CID
73014123
UNII
3W93F83K7S
DrugBank ID
DB05518
TTD ID
D0G2ZL
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fructose-1,6-bisphosphatase (FBP) TTWHDVK F16P1_HUMAN ; F16P2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00290940) Evaluation of Glucose Lowering Effect, Safety and Tolerability of CS-917. U.S. National Institutes of Health.
2 MB06322 (CS-917): A potent and selective inhibitor of fructose 1,6-bisphosphatase for controlling gluconeogenesis in type 2 diabetes. Proc Natl Acad Sci U S A. 2005 May 31;102(22):7970-5.