Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2092)
Drug Name
DMI-bisphosphate
Synonyms
D-myo-inositol 3,4-bisphosphate; Inositol 3,4-bisphosphate; SCHEMBL2044892; 1D-myo-Inositol 3,4-bisphosphate; 1D-myo-inositol 3,4-bis(dihydrogen phosphate); 1L-myo-inositol 1,6-bis(dihydrogen phosphate); 23410-61-9; 69256-53-7; AC1L98W7; C04063; CHEBI:28858; CTK2F6528; [(1S,2R,3S,4S,5S,6S)-2,3,4,5-tetrahydroxy-6-phosphonooxy-cyclohexyl]oxyphosphonic acid; [(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-phosphonooxycyclohexyl] dihydrogen phosphate
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 340.12 Topological Polar Surface Area 214
Heavy Atom Count 20 Rotatable Bond Count 4
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 12
Cross-matching ID
PubChem CID
440211
ChEBI ID
CHEBI:28858
CAS Number
69256-53-7
Formula
C6H14O12P2
Canonical SMILES
C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O
InChI
1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKey
MCKAJXMRULSUKI-CNWJWELYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Unclear DM009999 N. A. Unclear 1 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006018 DMI-bisphosphate Unclear Unclear INPP4A [1]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Inositol polyphosphate 4-phosphatase I (INPP4A) DME0525 Homo sapiens
INP4A_HUMAN
3.1.3.66
[1]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Inositol polyphosphate 4-phosphatase I (INPP4A) DME0525 Km = 0.028 microM
INP4A_HUMAN
[1]
References
1 The cDNA cloning and characterization of inositol polyphosphate 4-phosphatase type II. Evidence for conserved alternative splicing in the 4-phosphatase family. J Biol Chem. 1997 Sep 19;272(38):23859-64.

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