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

General Information of Drug (ID: DR1926)
Drug Name
Dynorphin A
Synonyms
Dynorphin A (1-17), porcine; Dynorphin A (swine); Dynorphin A amide, porcine; Dynorphin A porcine; Dynorphin A1-17; Dynorphin acetate; Dynorphin-(1-17); JMNJYGMAUMANNW-FIXZTSJVSA-N; 80448-90-4; 9M18T0TD14; AKOS024457469; BDBM50096785; Dynorphin A porcine, >=95% (HPLC); MFCD00076351; NCGC00167144-01; UNII-9M18T0TD14
Indication Discovery agent Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 2147.5 Topological Polar Surface Area 917
Heavy Atom Count 153 Rotatable Bond Count 74
Hydrogen Bond Donor Count 33 Hydrogen Bond Acceptor Count 29
Cross-matching ID
PubChem CID
16133805
PubChem SID
7979142 ; 15016334 ; 24894194 ; 28730830 ; 40667300 ; 50112440 ; 57380230 ; 91703941 ; 103241413 ; 134345712 ; 162228044 ; 241159665 ; 241376302 ; 252157083
CAS Number
80448-90-4
TTD Drug ID
D0Y8SK
Formula
C99H155N31O23
Canonical SMILES
CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)C(CC5=CC=C(C=C5)O)N
InChI
1S/C52H84N18O11/c1-5-30(4)42(48(79)68-37(49(80)81)16-11-23-62-52(58)59)70-45(76)36(15-10-22-61-51(56)57)66-44(75)35(14-9-21-60-50(54)55)67-46(77)38(24-29(2)3)69-47(78)39(26-31-12-7-6-8-13-31)65-41(73)28-63-40(72)27-64-43(74)34(53)25-32-17-19-33(71)20-18-32/h6-8,12-13,17-20,29-30,34-39,42,71H,5,9-11,14-16,21-28,53H2,1-4H3,(H,63,72)(H,64,74)(H,65,73)(H,66,75)(H,67,77)(H,68,79)(H,69,78)(H,70,76)(H,80,81)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t30-,34-,35-,36-,37-,38-,39-,42-/m0/s1
InChIKey
JMNJYGMAUMANNW-FIXZTSJVSA-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
Dyn A1-6 DM003857
121999
Unclear 1 [3]
Dyn A1-7 DM003864
196130
Unclear 1 [3]
Dyn A1-8 DM003865
53481552
Unclear 1 [3]
Dyn A2-17 DM003866
16132153
Unclear 1 [4]
Dyn A9-17 DM003862
53481553
Unclear 1 [3]
Dyn A1-6 DM003857
121999
Unclear 2 [3]
Dyn A1-7 DM003864
196130
Unclear 2 [3]
Dyn A7-17 DM003858 N. A. Unclear 2 [3]
Dyn A8-17 DM003859 N. A. Unclear 2 [3]
Dyn A9-15 DM003863 N. A. Unclear 2 [3]
Dyn A1-6 DM003857
121999
Unclear 3 [3]
Dyn A8-15 DM003860 N. A. Unclear 3 [3]
Dyn A8-17 DM003859 N. A. Unclear 3 [3]
Dyn A9-17 DM003862
53481553
Unclear 3 [3]
Dyn A8-15 DM003860 N. A. Unclear 4 [3]
Dyn A9-15 DM003863 N. A. Unclear 4 [3]
Dyn A9-17 DM003862
53481553
Unclear 4 [3]
Dyn A9-15 DM003863 N. A. Unclear 5 [3]
Dyn A9-15 DM003861 N. A. Unclear 5 [3]
⏷ Show the Full List of 19  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004216 Dynorphin A Dyn A1-6 Unclear Unclear [3]
MR004223 Dynorphin A Dyn A1-7 Unclear Unclear [3]
MR004226 Dynorphin A Dyn A1-8 Unclear Unclear [3]
MR004227 Dynorphin A Dyn A9-17 Unclear Unclear [3]
MR004230 Dynorphin A Dyn A2-17 Unclear Unclear [4]
MR014126 Dyn A1-7 Dyn A1-6 Unclear Unclear [3]
MR004228 Dyn A1-8 Dyn A1-7 Unclear Unclear [3]
MR014127 Dyn A9-17 Dyn A9-15 Unclear Unclear [3]
MR004217 Dynorphin A Dyn A7-17 Unclear Unclear [3]
MR004224 Dynorphin A Dyn A8-17 Unclear Unclear [3]
MR004229 Dyn A1-7 Dyn A1-6 Unclear Unclear [3]
MR004218 Dyn A7-17 Dyn A8-17 Unclear Unclear [3]
MR014128 Dyn A8-17 Dyn A9-17 Unclear Unclear [3]
MR014130 Dyn A8-17 Dyn A8-15 Unclear Unclear [3]
MR004225 Dyn A8-15 Dyn A9-15 Unclear Unclear [3]
MR004219 Dyn A8-17 Dyn A8-15 Unclear Unclear [3]
MR004221 Dyn A8-17 Dyn A9-17 Unclear Unclear [3]
MR014129 Dyn A9-17 Dyn A9-15 Unclear Unclear [3]
MR004220 Dyn A8-15 Dyn A9-15 Unclear Unclear [3]
MR004222 Dyn A9-17 Dyn A9-15 Unclear Unclear [3]
⏷ Show the Full List of 20 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytosol aminopeptidase (LAP3) DME0569 Homo sapiens
AMPL_HUMAN
3.4.11.1
[2]
References
1 Dynorphin A analogs for the treatment of chronic neuropathic pain. Future Med Chem. 2016;8(2):165-77.
2 Human brain leucyl aminopeptidase: isolation, characterization and specificity against some neuropeptides. Neuropeptides. 1991 Jul;19(3):163-8.
3 Dynorphin A(1-17) biotransformation in striatum of freely moving rats using microdialysis and matrix-assisted laser desorption/ionization mass spectrometry
4 Differential biotransformation of dynorphin A (1-17) and dynorphin A (1-13) peptides in human blood, ex vivo

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