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

General Information of Drug (ID: DR2048)
Drug Name
Leukotriene C4
Synonyms
LTC (sub 4); Leukotriene C; Leukotriene C(sub 1); Leukotriene C(sub 4); leukotriene C4; (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid; 2CU6TT9V48; 5S,6R-Ltc(sub 4); 5S-hydroxy,6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid; 72025-60-6; C30H47N3O9S; CHEBI:16978; GWNVDXQDILPJIG-NXOLIXFESA-N; LTC4; LTX; UNII-2CU6TT9V48
Indication Discovery agent Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 625.8 Topological Polar Surface Area 242
Heavy Atom Count 43 Rotatable Bond Count 25
Hydrogen Bond Donor Count 7 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
5280493
PubChem SID
5241 ; 4266071 ; 7978470 ; 8144736 ; 8616294 ; 26756768 ; 39289599 ; 47439963 ; 50111412 ; 53787291 ; 57357762 ; 76781864 ; 92126168 ; 103591345 ; 113853360 ; 126523876 ; 127302679 ; 127302680 ; 127302681 ; 127302682 ; 127302683 ; 127302684 ; 127302685 ; 135651512 ; 137005676 ; 137240026 ; 138355248 ; 179293089 ; 184584916 ; 198947983 ; 237822003 ; 250135036 ; 252455506 ; 252467942
ChEBI ID
CHEBI:16978
CAS Number
72025-60-6
TTD Drug ID
D0EW6H
Formula
C30H47N3O9S
Canonical SMILES
CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
InChI
1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
InChIKey
GWNVDXQDILPJIG-NXOLIXFESA-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
LTD4 (Leukotriene D4) DM004957
5280878
Unclear 1 [2]
LTE4 (Leukotriene E4) DM004958
5280879
Unclear 2 [2]
Leukotriene metabolite LTE4NAc DM004959 N. A. Conjugation - Acetylation 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005373 Leukotriene C4 LTD4 (Leukotriene D4) Unclear Unclear [2]
MR005374 LTD4 (Leukotriene D4) LTE4 (Leukotriene E4) Unclear DPEP1 ... [2]
MR005375 LTE4 (Leukotriene E4) Leukotriene metabolite LTE4NAc Conjugation - Acetylation AT [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
#NAME? DMEN252 Homo sapiens Not Available Not Available [2]
Acetyltransferase (AT) DMEN253 Bacteroides fragilis Not Available Not Available [2]
Dehydropeptidase-I (DPEP1) DME0117 Homo sapiens
DPEP1_HUMAN
3.4.13.19
[2]
Gamma-glutamyltranspeptidase 1 (GGT1) DME0498 Homo sapiens
GGT1_HUMAN
3.4.19.13
[3]
Gamma-glutamyltranspeptidase 5 (GGT5) DME0432 Homo sapiens
GGT5_HUMAN
3.4.19.13
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Gamma-glutamyltranspeptidase 1 (GGT1) DME0498 Km = 0.0102 microM
GGT1_HUMAN
[3]
Gamma-glutamyltranspeptidase 5 (GGT5) DME0432 Km = 0.0102 microM
GGT5_HUMAN
[3]
References
1 The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY. Nucleic Acids Res. 2020 Jan 8;48(D1):D1006-D1021. (Ligand id: 3354).
2 Leukotriene C4 metabolism by hepatoma cells and liver
3 Gamma-glutamyl compounds: substrate specificity of gamma-glutamyl transpeptidase enzymes. Anal Biochem. 2011 Jul 15;414(2):208-14.

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