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

General Information of Drug (ID: DR1435)
Drug Name
BRN-5220127
Synonyms
Propionylleucomycin; Ricamycin; Rokitamicina; Rokitamicina [Spanish]; Rokitamycin [INN:JAN]; Rokitamycine; Rokitamycine [French]; Rokitamycinum; Rokitamycinum [Latin]; TMS 19Q; ZPT03UEM0E; rokitamycin; 3''-O-propionylleucomycin A5; 74014-51-0; BRN 5220127; CCRIS 5267; Leucomycin V, 4B-butanoate 3B-propanoate; UNII-ZPT03UEM0E
Indication Chlamydial lymphogranuloma [ICD11: 1A80] Phase 1/2 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 828 Topological Polar Surface Area 206
Heavy Atom Count 58 Rotatable Bond Count 15
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
5282211
PubChem SID
7848959 ; 8616945 ; 12012977 ; 14865109 ; 39315691 ; 48416480 ; 49988909 ; 57358575 ; 79070251 ; 113856681 ; 117623998 ; 124766125 ; 126666648 ; 135029394 ; 136923440 ; 137102255 ; 162224733 ; 163414148 ; 163849054 ; 179151058 ; 184546358 ; 189053409 ; 196379320 ; 198948647 ; 223680285 ; 226504009 ; 241133675 ; 252356495
ChEBI ID
CHEBI:32103
CAS Number
74014-51-0
TTD Drug ID
D0L6QI
Formula
C42H69NO15
Canonical SMILES
CCCC(=O)OC1C(OC(CC1(C)OC(=O)CC)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(C=CC=CCC(OC(=O)CC(C3OC)O)C)O)C)CC=O)C)C
InChI
1S/C42H69NO15/c1-11-16-32(48)55-40-27(6)53-34(23-42(40,7)58-31(47)12-2)56-37-26(5)54-41(36(50)35(37)43(8)9)57-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(49)22-30(46)39(38)51-10/h13-15,18,20,24-30,34-41,45-46,50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
InChIKey
VYWWNRMSAPEJLS-MDWYKHENSA-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
10"-OH-rokitamycin DM005695 N. A. Oxidation - Hydrolyzationn 1 [2]
Leucomycin a7 DM005698
5282326
Unclear 1 [2]
Leucomycin V DM005696
5282189
Unclear 2 [2]
14-OH-rokitamycin DM005697 N. A. Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006077 BRN-5220127 10"-OH-rokitamycin Oxidation - Hydrolyzationn CYP3A4 [2]
MR006080 BRN-5220127 Leucomycin a7 Unclear CYP3A4 [2]
MR006078 10"-OH-rokitamycin Leucomycin V Unclear Unclear [2]
MR006081 Leucomycin a7 Leucomycin V Unclear Unclear [2]
MR006079 Leucomycin V 14-OH-rokitamycin Unclear Unclear [2]
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 Rokitamycin: bacterial resistance to a 16-membered ring macrolide differs from that to 14- and 15-membered ring macrolides. J Chemother. 2002 Apr;14(2):115-31.
2 An in vitro study on the metabolism and possible drug interactions of rokitamycin, a macrolide antibiotic, using human liver microsomes. Drug Metab Dispos. 1999 Jul;27(7):776-85.

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