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

General Information of Drug (ID: DR5939)
Drug Name
Terlipressin
Synonyms
Glypressin; Lucassin; Terlipressina; Terlipressine; Terlipressinum; Glypressin (TN); HS-2028; Terlipressin [BAN:INN]; Terlipressina [INN-Spanish]; Terlipressine [INN-French]; Terlipressinum [INN-Latin]; N-(N-(N-Glycylglycyl)glycyl)-8-L-lysinevasopressin
Indication Hypertension [ICD11: BA00-BA04] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 1227.4 Topological Polar Surface Area 563
Heavy Atom Count 85 Rotatable Bond Count 25
Hydrogen Bond Donor Count 16 Hydrogen Bond Acceptor Count 19
Cross-matching ID
PubChem CID
72081
ChEBI ID
CHEBI:135905
CAS Number
14636-12-5
TTD Drug ID
D0P4VX
Formula
C52H74N16O15S2
Canonical SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N
InChI
InChI=1S/C52H74N16O15S2/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey
BENFXAYNYRLAIU-QSVFAHTRSA-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
Lysine vasopressin DM005246 N. A. Other reaction - Cleavage 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005636 Terlipressin Lysine vasopressin Other reaction - Cleavage EPs [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Epimerase (EPS) DMEN099 Bacteroides fragilis Not Available Not Available [2]
References
1 Pharmacology, clinical efficacy and safety of terlipressin in esophageal varices bleeding, septic shock and hepatorenal syndrome. Expert Rev Gastroenterol Hepatol. 2007 Dec;1(2):207-17.
2 Pharmacology, clinical efficacy and safety of terlipressin in esophageal varices bleeding, septic shock and hepatorenal syndrome

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