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

General Information of Drug (ID: DR2379)
Drug Name
Spectinomycin
Synonyms
Specitinomycin; Spectam; Spectinomicina; Spectinomicina [Italian]; Spectinomycin; Spectinomycin [INN:BAN]; Spectinomycin hydrochloride; Spectinomycine; Spectinomycine [INN-French]; Spectinomycinum; Spectinomycinum [INN-Latin]; Togamycin; Actinospectacina [Italian]; Antibiotic 2233wp; CHX-3101; Espectinomicina; Espectinomicina [INN-Spanish]; Trobicin; U 18409 E; UNFWWIHTNXNPBV-WXKVUWSESA-N; actinospectacin; 1695-77-8; 93AKI1U6QF; BRN 2171701; C14H24N2O7; CHEBI:9215; EINECS 216-911-3; M-141; SCM; UNII-93AKI1U6QF
Indication Gonococcal infection [ICD11: 1A70] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 332.35 Topological Polar Surface Area 130
Heavy Atom Count 23 Rotatable Bond Count 2
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
15541
ChEBI ID
CHEBI:9215
CAS Number
1695-77-8
Formula
C14H24N2O7
Canonical SMILES
CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O
InChI
1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChIKey
UNFWWIHTNXNPBV-WXKVUWSESA-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. Conjugation - O-Adenosine conjugation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006839 Spectinomycin Unclear Conjugation - O-Adenosine conjugation aadA1a [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aminoglycoside adenylyltransferase (aadA1a) DME1632 Salmonella enterica
Q6YLD2_SALER
2.7.7.46
[2]
References
1 Spectinomycin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase from Salmonella enterica. J Biol Chem. 2018 Jul 20;293(29):11481-11490.

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