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

General Information of Drug (ID: DR2504)
Drug Name
Eravacycline
Synonyms
Eravacycline; Eravacycline (USAN); ERAVACYCLINE; TP-434; 1207283-85-9; UNII-07896928ZC; 07896928ZC; Eravacycline [USAN:INN]; TP434; CHEMBL1951095; SCHEMBL10040430; EX-A751; ZINC200151468; CS-7564; DB12329; HY-16980; FT-0700427; D10369; J-690064; Q15410941
Indication Methicillin-resistant staphylococcus infection [ICD11: 1D01] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 558.6 Topological Polar Surface Area 194
Heavy Atom Count 40 Rotatable Bond Count 5
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
54726192
CAS Number
1207283-85-9
TTD Drug ID
D0LZ7E
Formula
C27H31FN4O8
Canonical SMILES
CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)NC(=O)CN5CCCC5)F
InChI
1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1
InChIKey
AKLMFDDQCHURPW-ISIOAQNYSA-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
TP-034 DM001928
54749135
Unclear 1 [2]
Tp-498 DM001926
132155761
Unclear 1 [2]
TP-6208 DM001927
165411983
Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000913 Eravacycline Tp-498 Unclear Unclear [2]
MR000914 Eravacycline TP-6208 Unclear Unclear [2]
MR000915 Eravacycline TP-034 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 Eravacycline was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Mass balance and drug interaction potential of intravenous eravacycline administered to healthy subjects. Antimicrob Agents Chemother. 2019 Feb 26;63(3). pii: e01810-18.

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