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

General Information of Drug (ID: DR0292)
Drug Name
ABT-773
Synonyms
Cethromycin; Cethromycin (USAN/INN); Cethromycin [USAN]; Restanza; cethromycine; cethromycinum; cetromicina; (3aS,4R,7R,9R,10R,11R,13R,15R,15aR)-4-Ethyl-3a,7,9,11,13,15-hexamethyl-11-((3-(quinolin-3-yl)prop-2-enyl)oxy)-10-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)octahydro-2H-oxacyclotetradecino(4,3-d)oxazole-2,6,8,14(1H,7H,9H)-tetrone; 205110-48-1; A-195773; ABT 773; ABT-773; Abbott-195773; CHEBI:29506
Indication Pneumocystis pneumonia [ICD11: CA40] Phase 3 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 765.9 Topological Polar Surface Area 163
Heavy Atom Count 55 Rotatable Bond Count 8
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 12
Cross-matching ID
PubChem CID
447451
PubChem SID
828031 ; 7849450 ; 7885483 ; 10300061 ; 12015222 ; 14864747 ; 14889049 ; 50070547 ; 50071178 ; 57404812 ; 79844004 ; 104638038 ; 134339239 ; 135111837 ; 140277635 ; 140403219 ; 227992104
ChEBI ID
CHEBI:29506
CAS Number
205110-48-1
TTD Drug ID
D0D7TD
Formula
C42H59N3O10
Canonical SMILES
CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=CC4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C
InChI
1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1
InChIKey
PENDGIOBPJLVBT-ONLVEXIXSA-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
ABT-773 Metabolite M1 DM018079 N. A. Unclear - Unclear 1 [3]
ABT-773 Metabolite M3 DM018082 N. A. Unclear - Unclear 1 [3]
ABT-773 Metabolite M2 DM018080 N. A. Unclear - Unclear 2 [3]
ABT-773 Metabolite M4 DM018081 N. A. Unclear - Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009922 ABT-773 ABT-773 Metabolite M1 Unclear - Unclear Unclear [3]
MR009925 ABT-773 ABT-773 Metabolite M3 Unclear - Unclear Unclear [3]
MR009923 ABT-773 Metabolite M1 ABT-773 Metabolite M2 Unclear - Unclear Unclear [3]
MR009924 ABT-773 Metabolite M1 ABT-773 Metabolite M4 Unclear - Unclear Unclear [3]
MR009926 ABT-773 Metabolite M3 ABT-773 Metabolite M4 Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
References
1 How many modes of action should an antibiotic have? Curr Opin Pharmacol. 2008 Oct;8(5):564-73.
2 CYP3A5 genotype has a dose-dependent effect on ABT-773 plasma levels. Clin Pharmacol Ther. 2004 Jun;75(6):516-28.
3 digitalconference:ABT-773

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