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

General Information of Drug (ID: DR1139)
Drug Name
Netilmicin
Synonyms
Netillin; Netilmicin [INN:BAN]; Netilmicina; NETILMICIN SULFATE; Netilmicina [INN-Spanish]; Netilmicine; Netilmicine [INN-French]; Netilmicinum; Netilmicinum [INN-Latin]; Netilyn; Sch 20569; Vectacin; netilmicin; 1-N-Aethylsisomicin; 1-N-Ethylsisomicin; 4O5J85GJJB; 56391-56-1; 56391-57-2; BRN 5316582; EINECS 260-146-8; HSDB 3584; NTL; UNII-4O5J85GJJB
Indication Acute upper respiratory infection [ICD11: CA07] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 475.6 Topological Polar Surface Area 200
Heavy Atom Count 33 Rotatable Bond Count 8
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 12
Cross-matching ID
PubChem CID
441306
PubChem SID
9859 ; 625394 ; 7980108 ; 10298789 ; 14834528 ; 34187964 ; 47589148 ; 47736649 ; 48334664 ; 49699295 ; 50123973 ; 50202618 ; 96024955 ; 104234256 ; 104625159 ; 123080687 ; 124766036 ; 134337700 ; 160964294 ; 162173136 ; 163913838 ; 179150658 ; 198947331
ChEBI ID
ChEBI:7528
CAS Number
56391-56-1
TTD Drug ID
D07JZF
Formula
C21H41N5O7
Canonical SMILES
CCNC1CC(C(C(C1OC2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N
InChI
1S/C21H41N5O7/c1-4-26-13-7-12(24)16(32-19-11(23)6-5-10(8-22)31-19)14(27)17(13)33-20-15(28)18(25-3)21(2,29)9-30-20/h5,11-20,25-29H,4,6-9,22-24H2,1-3H3/t11-,12+,13-,14+,15-,16-,17+,18-,19-,20-,21+/m1/s1
InChIKey
CIDUJQMULVCIBT-MQDUPKMGSA-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
Netilmicin M1 PDM007268 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Netilmicin M2 PDM007269 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Netilmicin M3 PDM007270 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Netilmicin M4 PDM007271 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Netilmicin M5 PDM007272 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
Aminoglycoside N-acetyltransferase (aacC2) DME1172 Acinetobacter baumannii
AAC6_ACIBA
2.3.1.82
[2]
Aminoglycoside O-phosphotransferase (aphA6) DME1068 Acinetobacter baumannii
KKA6_ACIBA
2.7.1.95
[2]
RNA cytidine acetyltransferase (hALP) DME0007 Homo sapiens
NAT10_HUMAN
2.3.1.5
[3]
References
1 Netilmicin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Relationship between antimicrobial resistance and aminoglycoside-modifying enzyme gene expressions in Acinetobacter baumannii. Chin Med J (Engl). 2005 Jan 20;118(2):141-5.
3 Aminoglycoside resistance resulting from tight drug binding to an altered aminoglycoside acetyltransferase. Antimicrob Agents Chemother. 2003 May;47(5):1577-83.

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