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

General Information of Drug (ID: DR0168)
Drug Name
Azithromycin
Synonyms
Aritromicina; Aritromicina [Spanish]; Azasite; Azenil; Azithromycin (anhydrous); Azithromycine; Azithromycine [French]; Azithromycinum; Azithromycinum [Latin]; Azitrocin; Azitromax; Azitromicina; Aziwok; Aztrin; Azythromycin; AZITHROMYCIN DIHYDRATE; Hemomycin; J2KLZ20U1M; Misultina; Mixoterin; Setron; Sumamed; Tromix; Zithrax; Zithromax; Zithromax IV; Zitrim; Zitromax; Zitrotek; azithromycin; 83905-01-5; BRN 5387583; C38H72N2O12; CCRIS 1961; CHEBI:2955; CP 62993; CP-62993; DRG-0104; HSDB 7205; Tobil; UNII-J2KLZ20U1M; Z-Pak; Zeto; Zifin; Zmas; Zmax
Indication Congenital syphilis [ICD11: 1A60] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 749 Topological Polar Surface Area 180
Heavy Atom Count 52 Rotatable Bond Count 7
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 14
Cross-matching ID
PubChem CID
447043
PubChem SID
602741 ; 826196 ; 828032 ; 855291 ; 7891223 ; 8150034 ; 10299997 ; 11335408 ; 11360647 ; 11363201 ; 11365763 ; 11368325 ; 11371605 ; 11373870 ; 11376487 ; 11461619 ; 11485280 ; 11489398 ; 11490469 ; 11492001 ; 11494121 ; 12013987 ; 14815592 ; 14913522 ; 17389173 ; 24886803 ; 26612518 ; 26681126 ; 37101861 ; 46507743 ; 47193725 ; 47662150 ; 47885293 ; 48034991 ; 48424843 ; 49648620 ; 49718186 ; 49855943 ; 50085942 ; 50105431 ; 53787457 ; 56312039 ; 56312690 ; 56313580 ; 56320681 ; 56322740 ; 56352923 ; 57404783 ; 79120868 ; 81093228
ChEBI ID
ChEBI:34546
CAS Number
117772-70-0
TTD Drug ID
D03HJK
Formula
C38H72N2O12
Canonical SMILES
CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
InChI
1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKey
MQTOSJVFKKJCRP-BICOPXKESA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Azithromycin M1 PDM007108 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Azithromycin M2 PDM007109 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Azithromycin M3 PDM007110 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Azithromycin M4 PDM007111 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Azithromycin M5 PDM007112 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Azithromycin M6 PDM007113 N. A. Conjugation - N-Glucuronidation of tertiary aliphatic amine 1 Human
Azithromycin M7 PDM007114 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Azithromycin M8 PDM007115 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Azithromycin M9 PDM007116 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
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 Azithromycin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.

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