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

General Information of Drug (ID: DR1123)
Drug Name
Dihydrocozymase
Synonyms
Codehydrase I, reduced; Codehydrogenase I, reduced; Coenzyme I, reduced; Cozymase I, reduced; Dihydrocodehydrogenase I; Dihydrocozymase; Dihydronicotinamide mononucleotide; NAD-reduced; Reduced codehydrogenase I; beta-DPNH; beta-NADH; 1,4-Dihydronicotinamide adenine dinucleotide; 58-68-4; DPNH; Dihydronicotinamide-adenine dinucleotide; NADH; NADH2; Reduced diphosphopyridine nucleotide; Reduced nicotinamide adenine diphosphate; Reduced nicotinamide-adenine dinucleotide; UNII-4J24DQ0916; dihydronicotinamide adenine dinucleotide
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 665.4 Topological Polar Surface Area 318
Heavy Atom Count 44 Rotatable Bond Count 11
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 19
Cross-matching ID
PubChem CID
439153
PubChem SID
3306 ; 584476 ; 584809 ; 585516 ; 821913 ; 823134 ; 825930 ; 825936 ; 828466 ; 828744 ; 828908 ; 841526 ; 8024318 ; 8145742 ; 10298218 ; 10317217 ; 14839494 ; 24775903 ; 26702311 ; 26704397 ; 26706856 ; 26707742 ; 26707751 ; 26707759 ; 26708871 ; 26711774 ; 26712883 ; 36883413 ; 46504879 ; 50172602 ; 57402874 ; 81059101 ; 81060441 ; 85164328 ; 85164331 ; 85164902 ; 85176956 ; 104619760 ; 123059890 ; 123059893 ; 123059898 ; 127284280 ; 127284281 ; 127284282 ; 127284283 ; 127284284 ; 127284285 ; 127284286 ; 127284287 ; 127284288
ChEBI ID
ChEBI:16908
CAS Number
606-68-8
TTD Drug ID
D0B8SV
Formula
C21H29N7O14P2
Canonical SMILES
C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
InChI
1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey
BOPGDPNILDQYTO-NNYOXOHSSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alcohol dehydrogenase class-I alpha (ADH1A) DME0127 Homo sapiens
ADH1A_HUMAN
1.1.1.1
[2]
Alcohol dehydrogenase class-I beta (ADH1B) DME0128 Homo sapiens
ADH1B_HUMAN
1.1.1.105
[2]
Alcohol dehydrogenase class-III (ADH5) DME0132 Homo sapiens
ADHX_HUMAN
1.1.1.1
[2]
Alcohol dehydrogenase class-V (ADH6) DME0073 Homo sapiens
ADH6_HUMAN
1.1.1.1
[2]
Aldo-keto reductase 1A1 (AKR1A1) DME0098 Homo sapiens
AK1A1_HUMAN
1.1.1.2
[2]
Diaphorase-1 (CYB5R3) DME0473 Homo sapiens
NB5R3_HUMAN
1.6.2.2
[3]
Gastric alcohol dehydrogenase (ADH7) DME0131 Homo sapiens
ADH7_HUMAN
1.1.1.105
[2]
Hydroxyacyl-CoA dehydrogenase 2 (HSD17B10) DME0471 Homo sapiens
HCD2_HUMAN
1.1.1.35
[4]
Retinol dehydrogenase 13 (RDH13) DME0474 Homo sapiens
RDH13_HUMAN
1.1.1.300
[5]
Retinol dehydrogenase 14 (RDH14) DME0472 Homo sapiens
RDH14_HUMAN
1.1.1.300
[6]
⏷ Show the Full List of 10  DME(s)
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Diaphorase-1 (CYB5R3) DME0473 Km = 0.006 microM
NB5R3_HUMAN
[3]
Hydroxyacyl-CoA dehydrogenase 2 (HSD17B10) DME0471 Km = 0.02 microM
HCD2_HUMAN
[4]
Retinol dehydrogenase 13 (RDH13) DME0474 Km = 6 microM
RDH13_HUMAN
[5]
Retinol dehydrogenase 14 (RDH14) DME0472 Km = 1200 microM
RDH14_HUMAN
[6]
References
1 DAILYMED.nlm.nih.gov: XYZBAC- ascorbic acid, cholecalciferol, thiamin hcl, pyridoxal 5 phosphate, folic acid, methylcobalamin, adenine dinucleotide, ubiquinone tablet.
2 Conformational changes and catalysis by alcohol dehydrogenase. Arch Biochem Biophys. 2010 Jan 1;493(1):3-12.
3 Expression of a novel P275L variant of NADH:cytochrome b5 reductase gives functional insight into the conserved motif important for pyridine nucleotide binding. Arch Biochem Biophys. 2006 Mar 1;447(1):59-67.
4 A human brain L-3-hydroxyacyl-coenzyme A dehydrogenase is identical to an amyloid beta-peptide-binding protein involved in Alzheimer's disease. J Biol Chem. 1998 Apr 24;273(17):10741-6.
5 Human retinol dehydrogenase 13 (RDH13) is a mitochondrial short-chain dehydrogenase/reductase with a retinaldehyde reductase activity. FEBS J. 2008 Jan;275(1):138-47.
6 Human pancreas protein 2 (PAN2) has a retinal reductase activity and is ubiquitously expressed in human tissues. FEBS Lett. 2002 Nov 20;531(3):489-93.

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