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

General Information of Drug (ID: DR1702)
Drug Name
Vitamin K
Synonyms
Aqua mephyton; Aqua-Mephytin; Aquamephyton; Combinal K1; Fitomenadione; K-Ject; Kativ N; Kephton; Kinadion; Konakion; MBWXNTAXLNYFJB-LKUDQCMESA-N; Mephyton; Mono-Kay; Monodion; Phyllochinonum; Phylloquinone; Phythyl-menadion; Phytomenadionum; Phytonadionum; Synthex P; VITAMIN K; Vitamin K 1; Vitamin K1(20); trans-Phylloquinone; .alpha.-Phylloquinone; 12001-79-5; 2',3'-trans-Vitamin K1; 2-Methyl-3-phytyl-1,4-naphthoquinone; 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione; NSC 270681
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 450.7 Topological Polar Surface Area 34.1
Heavy Atom Count 33 Rotatable Bond Count 14
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
5280483
PubChem SID
5148 ; 570425 ; 646623 ; 7847216 ; 8616290 ; 10536482 ; 10536899 ; 14784162 ; 29215362 ; 39289590 ; 48498323 ; 49995626 ; 53787905 ; 56365821 ; 57260129 ; 57260130 ; 57357755 ; 57390757 ; 80851796 ; 83584131 ; 87574801 ; 88828962 ; 103120368 ; 113853339 ; 117586800 ; 124576737 ; 124800047 ; 124897843 ; 126524869 ; 134338510 ; 134972505 ; 135078748 ; 135234658 ; 135263933 ; 137142313 ; 137240036 ; 139059465 ; 162090649 ; 179093928 ; 179226024 ; 184545593 ; 184551948 ; 241203223 ; 242084697 ; 250130715 ; 251871784
ChEBI ID
ChEBI:28384
CAS Number
12001-79-5
TTD Drug ID
D07QPA
Formula
C31H46O2
Canonical SMILES
CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
InChI
1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+
InChIKey
MBWXNTAXLNYFJB-LKUDQCMESA-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
KH2 DM004104 N. A. Reduction - Reduction 1 [2]
KO DM004105 N. A. Oxidation - Oxidationn 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004482 Vitamin K KH2 Reduction - Reduction VKORC1 [2]
MR004483 KH2 KO Oxidation - Oxidationn GGCX [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Vitamin K-dependent gamma-carboxylase (GGCX) DMEN212 Homo sapiens
VKGC_HUMAN
4.1.1.90
[2]
Vitamin K1 2,3-epoxide reductase 1 (VKOR) DME0149 Homo sapiens
VKOR1_HUMAN
1.17.4.4
[3]
Vitamin K1 2,3-epoxide reductase 1 (VKOR) DME0149 Homo sapiens
VKOR1_HUMAN
1.17.4.4
[2]
VKORC1-like protein 1 (VKORC1L1) DME0440 Homo sapiens
VKORL_HUMAN
1.17.4.4
[4]
References
1 Plasma levels of protein C and vitamin K-dependent coagulation factors in patients on long-term oral anticoagulant therapy. Tohoku J Exp Med. 1986 Aug;149(4):351-7.
2 Warfarin alters vitamin K metabolism: a surprising mechanism of VKORC1 uncoupling necessitates an additional reductase
3 VKORC1L1, an enzyme mediating the effect of vitamin K in liver and extrahepatic tissues. Nutrients. 2018 Jul 26;10(8). pii: E970.
4 VKORC1L1, an enzyme rescuing the vitamin K 2,3-epoxide reductase activity in some extrahepatic tissues during anticoagulation therapy. J Biol Chem. 2013 Oct 4;288(40):28733-42.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.