mizagliflozin   Click here for help

GtoPdb Ligand ID: 9547

Synonyms: DSP-3235
Compound class: Synthetic organic
Comment: A novel selective sodium glucose co-transporter 1 (SGLT1) inhibitor, exhibits potential in the amelioration of chronic constipation.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 14
Topological polar surface area 192.41
Molecular weight 564.32
XLogP 1.53
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES OCC1OC(Oc2n[nH]c(c2Cc2ccc(cc2C)OCCCNCC(C(=O)N)(C)C)C(C)C)C(C(C1O)O)O
Isomeric SMILES OC[C@H]1O[C@@H](Oc2n[nH]c(c2Cc2ccc(cc2C)OCCCNCC(C(=O)N)(C)C)C(C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChI InChI=1S/C28H44N4O8/c1-15(2)21-19(25(32-31-21)40-26-24(36)23(35)22(34)20(13-33)39-26)12-17-7-8-18(11-16(17)3)38-10-6-9-30-14-28(4,5)27(29)37/h7-8,11,15,20,22-24,26,30,33-36H,6,9-10,12-14H2,1-5H3,(H2,29,37)(H,31,32)/t20-,22-,23+,24-,26+/m1/s1
InChI Key LREHMKLEOJAVMQ-TXKDOCKMSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2,2-dimethyl-3-[3-[3-methyl-4-[[3-propan-2-yl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide
International Nonproprietary Names Click here for help
INN number INN
10245 mizagliflozin
Synonyms Click here for help
DSP-3235
Database Links Click here for help
GtoPdb PubChem SID 336446933
PubChem CID 10460535
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