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

General Information of Drug (ID: DR5489)
Drug Name
Desmopressin
Synonyms
Ddavp; DESMOPRESSIN; DDAVP; dAVP; Minirin; Adiuretin SD; Noctiva; Adiuretin; Deamino Arginine Vasopressin; Desmopressinum; deamino-vasopressin; [deamino1]AVP; Desmopressin [INN:BAN]; [deamino-Cys1]AVP; Desmopressinum [INN-Latin]; Desmopressine [INN-French]; Desmopresina [INN-Spanish]; Vasopressin, 1-(3-mercaptopropanoic acid)-8-D-arginine-; desnopressin; Vasopressin, Deamino Arginine; EINECS 240-726-7; 1-Desamino-8-D-arginine vasopressin; Desamino-8-D-arginine vasopressin, l-; Deamino-8-D-arginine, l-, vasopressin; Desmopressin Melt; Minrin Melt; FE-992026; Desmopressin (fast-dissolving, nocturia/diabetes insipidus); Desmopressin (fast-dissolving, nocturia/diabetes insipidus), Ferring Pharmaceuticals
Indication Diabetic complication [ICD11: 5A2Y] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 1069.2 Topological Polar Surface Area 489
Heavy Atom Count 74 Rotatable Bond Count 19
Hydrogen Bond Donor Count 13 Hydrogen Bond Acceptor Count 15
Cross-matching ID
PubChem CID
5311065
ChEBI ID
CHEBI:4450
CAS Number
16679-58-6
TTD Drug ID
D0U7SH
Formula
C46H64N14O12S2
Canonical SMILES
C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=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)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N
InChI
InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1
InChIKey
NFLWUMRGJYTJIN-PNIOQBSNSA-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
Phenylalanine DM014897
6140
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008777 Desmopressin Phenylalanine Unclear - Unclear CTRB [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
alpha-Chymotrypsin (CTRB) DMEN779 Homo sapiens Not Available Not Available [2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2182).
2 alpha-Chymotrypsin-catalyzed degradation of desmopressin (dDAVP): influence of pH, concentration and various cyclodextrins

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