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

General Information of Drug (ID: DR2090)
Drug Name
DMI-tetrakisphosphate
Synonyms
D-myo-inositol 1,3,4,5-tetrakisphosphate; Inositol 1,3,4,5-tetraphosphate; Inositol-1,3,4,5-tetraphosphate; Ins(1,3,4,5)P4; Ins-1,3,4,5-P4; 102850-29-3; 1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosphate); 1D-myo-inositol 1,3,4,5-tetrakisphosphate; 1bwn; CHEBI:16783; CHEMBL23552; Inositol-1,3,4,5-tetrakisphosphate; inositol 1,3,4,5-tetrakisphosphate; inositol-(1,3,4,5)-tetrakisphosphate; myo-Inositol 1,3,4,5-tetraphosphate; myo-Inositol, 1,3,4,5-tetrakis(dihydrogen phosphate); myo-Inositol-1,3,4,5-tetrakisphosphate
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 500.08 Topological Polar Surface Area 308
Heavy Atom Count 28 Rotatable Bond Count 8
Hydrogen Bond Donor Count 10 Hydrogen Bond Acceptor Count 18
Cross-matching ID
PubChem CID
107758
PubChem SID
4491 ; 584396 ; 584572 ; 584600 ; 585446 ; 838953 ; 839161 ; 7885357 ; 7888486 ; 8008912 ; 8143650 ; 14835576 ; 32964168 ; 38671706 ; 38671709 ; 40649264 ; 44436721 ; 46391508 ; 46391593 ; 46391874 ; 46393436 ; 49703948 ; 57338232 ; 79216757 ; 96026283 ; 99213295 ; 103022979 ; 103191772 ; 103968715 ; 104379672 ; 123059826 ; 125333088 ; 126523777 ; 126700322 ; 127630553 ; 131271418 ; 134222888 ; 135066276 ; 144223702 ; 152137711 ; 160650399 ; 163821555 ; 178101888 ; 234796953 ; 250132925
ChEBI ID
CHEBI:16783
CAS Number
102850-29-3
TTD Drug ID
D0MH9X
Formula
C6H16O18P4
Canonical SMILES
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)O
InChI
1S/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKey
CIPFCGZLFXVXBG-FTSGZOCFSA-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
Altritol DM003841
151263
Multi-steps Reaction - Reduction; Dephosphorylation 1 [5]
D-myo-inositol 1,3,4-trisphosphate DM003834
439455
Oxidation - Dephosphorylation 1 [6]
D-myo-inositol 3,4-bisphosphate DM003835
440211
Unclear 2 [6]
Ins 3-P DM003840 N. A. Unclear 2 [2]
Nositol 1,3-bisphosphate DM003838
128419
Unclear 2 [2] , [3]
D-myo-inositol 3- phosphate DM003836 N. A. Unclear 3 [6]
Ins 1-P DM003839 N. A. Hydrolysis - Hydrolyzation 3 [2]
Inositol DM003837
892
Unclear 4 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004191 DMI-tetrakisphosphate D-myo-inositol 1,3,4-trisphosphate Oxidation - Dephosphorylation Unclear [6]
MR004198 DMI-tetrakisphosphate Altritol Multi-steps Reaction - Reduction; Dephosphorylation Unclear [5]
MR004192 D-myo-inositol 1,3,4-trisphosphate D-myo-inositol 3,4-bisphosphate Unclear Unclear [6]
MR004195 D-myo-inositol 1,3,4-trisphosphate Nositol 1,3-bisphosphate Unclear INPP1 [2], [3]
MR004197 D-myo-inositol 1,3,4-trisphosphate Ins 3-P Unclear Unclear [2]
MR004193 D-myo-inositol 3,4-bisphosphate D-myo-inositol 3- phosphate Unclear Unclear [6]
MR004196 Inositol 1,3-bisphosphate Ins 1-P Hydrolysis - Hydrolyzation INPP4A ... [2]
MR004194 D-myo-inositol 3- phosphate Inositol Unclear Unclear [6]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Inositol polyphosphate 1-phosphatase (INPP1) DMEN155 Homo sapiens
INPP_HUMAN
3.1.3.57
[2] , [3]
Inositol polyphosphate 4-phosphatase I (INPP4A) DME0525 Homo sapiens
INP4A_HUMAN
3.1.3.66
[2]
Inositol tetrakisphosphate 3-phosphatase (MIPP) DME0524 Homo sapiens
MINP1_HUMAN
3.1.3.62
[4]
Inositol tetrakisphosphate 3-phosphatase (MIPP) DME0524 Homo sapiens
MINP1_HUMAN
3.1.3.62
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Inositol tetrakisphosphate 3-phosphatase (MIPP) DME0524 Km = 0.0016 microM
MINP1_HUMAN
[4]
References
1 The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY. Nucleic Acids Res. 2020 Jan 8;48(D1):D1006-D1021. (Ligand id: 5202).
2 The metabolism of inositol 1,3,4-trisphosphate to inositol 1,3-bisphosphate
3 Formation and metabolism of inositol 1,3,4,5-tetrakisphosphate in liver
4 The human and rat forms of multiple inositol polyphosphate phosphatase: functional homology with a histidine acid phosphatase up-regulated during endochondral ossification. FEBS Lett. 1999 Jan 8;442(1):99-104.
5 Metabolism of D-myo-inositol 1,3,4,5-tetrakisphosphate by rat liver, including the synthesis of a novel isomer of myo-inositol tetrakisphosphate
6 The metabolism of D-myo-inositol 1,4,5-trisphosphate and D-myo-inositol 1,3,4,5-tetrakisphosphate by porcine skeletal muscle

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