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

General Information of Drug (ID: DR0806)
Drug Name
Heparin
Synonyms
Heparin [BAN]; Heparina; Heparine; Heparinum; Hepathrom; Lipo-hepin; Liquaemin; Liquemin; Lovenox; Lovenox HP; Low molecular weight heparin; Multiparin; Nadroparin; Nadroparine; Normiflo; Novoheparin; Octaparin; PK-10169; Pabyrin; Parnaparin; Adomiparin; Ardeparin; Bemiparin; Clexane; Clivarin; Depo-Heparin; Eparina [DCIT]; Fluxum; Fragmin A; Fragmin B; Hed-heparin; Parvoparin; Pularin; Reviparin; SEMULOPARIN; Sandoparin; Subeparin; Sublingula; Tinzaparin; Triofiban; Vetren; Vitrum AB; enoxaparin; heparin; 9005-49-6; CY 216; FR 860; LMWH
Indication Angina pectoris [ICD11: BA40] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 1134.9 Topological Polar Surface Area 652
Heavy Atom Count 70 Rotatable Bond Count 21
Hydrogen Bond Donor Count 15 Hydrogen Bond Acceptor Count 38
Cross-matching ID
PubChem CID
772
PubChem SID
24439133 ; 46505194 ; 46507450 ; 53787364 ; 57320468 ; 76657000 ; 81065629 ; 103121404 ; 104295808 ; 137267081 ; 160963753 ; 178103417 ; 179235956 ; 210275694 ; 210281353 ; 226852693
ChEBI ID
ChEBI:28304
CAS Number
9005-49-6
TTD Drug ID
D0MX5S
Formula
C26H42N2O37S5
Canonical SMILES
CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O
InChI
1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
InChIKey
HTTJABKRGRZYRN-UHFFFAOYSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Heparanase (HPSE) DME0113 Homo sapiens
HPSE_HUMAN
3.2.1.166
[2]
Heparin lyase (hepB) DME1488 Streptobacillus moniliformis
HEPB_PEDHD
4.2.2.7
[3] , [4]
Sulfotransferase 1A1 (SULT1A1) DME0008 Homo sapiens
ST1A1_HUMAN
2.8.2.1
[5]
References
1 Heparin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Heparanase affects secretory granule homeostasis of murine mast cells through degrading heparin. J Allergy Clin Immunol. 2011 Dec;128(6):1310-1317.e8.
3 A bacterial ABC transporter enables import of mammalian host glycosaminoglycans. Sci Rep. 2017 Apr 21;7(1):1069.
4 A case of Streptobacillus moniliformis infection with cutaneous leukocytoclastic vasculitis. Acta Med Okayama. 2016 Oct;70(5):377-381. Case Reports
5 Characterization of a heparan sulfate 3-O-sulfotransferase-5, an enzyme synthesizing a tetrasulfated disaccharide. J Biol Chem. 2003 Jul 18;278(29):26780-7.

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