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

General Information of Drug (ID: DR1096)
Drug Name
Miocamycin
Synonyms
Macroral; Midecamycin acetate (JP17); Midecamycin acetate [JAN]; Miocamen; Miocamycin; Miocamycin (TN); Miocamycine; Miokamycin; Myocamicin; Ponsinomycin; SCHEMBL139293; ZINC169677000; midecamycin acetate; 3'',9-Diacetylmydecamycin; 3T48CPS7U2; 55881-07-7; 9,3''-Di-O-Acetylmidecamycin; 9,3''-Diacetylmidecamycin; AC1NQZMS; Acecamycin; C45H71NO17; CHEMBL1091024; DTXSID60905087; EINECS 259-879-6; Leucomycin V, 3(sup B),9-diacetate 3,4(sup B)-dipropanoate; Leucomycin V, 3B,9-diacetate 3,4B-dipropanoate; MOM; Mosil; UNII-3T48CPS7U2
Indication Pulmonary tuberculosis [ICD11: 1B10] Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 898 Topological Polar Surface Area 218
Heavy Atom Count 63 Rotatable Bond Count 18
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 18
Cross-matching ID
PubChem CID
5282188
CAS Number
55881-07-7
Formula
C45H71NO17
Canonical SMILES
CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC)(C)OC(=O)C)N(C)C)O)CC=O)C)OC(=O)C)C
InChI
1S/C45H71NO17/c1-13-34(50)59-33-23-36(52)55-26(4)18-16-15-17-19-32(58-29(7)48)25(3)22-31(20-21-47)41(42(33)54-12)62-44-39(53)38(46(10)11)40(27(5)57-44)61-37-24-45(9,63-30(8)49)43(28(6)56-37)60-35(51)14-2/h15-17,19,21,25-28,31-33,37-44,53H,13-14,18,20,22-24H2,1-12H3/b16-15+,19-17+/t25-,26-,27-,28+,31+,32+,33-,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1
InChIKey
GQNZGCARKRHPOH-RQIKCTSVSA-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
Unclear DM009999 N. A. Oxidation - Hydrolyzationn 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006019 Miocamycin Unclear Oxidation - Hydrolyzationn CYP3A4 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 National Center for Advancing Translational Science-Inxight: drug (3T48CPS7U2)
2 Inhibition of triazolam clearance by macrolide antimicrobial agents: in vitro correlates and dynamic consequences. Clin Pharmacol Ther. 1998 Sep;64(3):278-85.
3 Studies on the cytochrome P450 (CYP)-mediated metabolic properties of miocamycin: evaluation of the possibility of a metabolic intermediate complex formation with CYP, and identification of the human CYP isoforms

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