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

General Information of Drug (ID: DR3417)
Drug Name
Solithromycin
Synonyms
Solithromycin; CEM-101; OP-1068; OPT-1068; Solithromycin (iv, bacterial pneumonia), Cempra; Solithromycin (malaria), Cempra/Medicines for Malaria Venture; Solithromycin (oral, bacterial pneumonia), Cempra; CEM-101 (iv, bacterial pneumonia), Cempra; CEM-101 (malaria), Cempra/Medicines for Malaria Venture; CEM-101 (oral, bacterial pneumonia), Cempra
Indication Bacillus anthracis infection [ICD11: 1G40-1G41] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 845 Topological Polar Surface Area 198
Heavy Atom Count 60 Rotatable Bond Count 11
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 15
Cross-matching ID
PubChem CID
25242512
CAS Number
81-83-7
TTD Drug ID
D0W2FZ
Formula
C43H65FN6O10
Canonical SMILES
CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=N4)C5=CC(=CC=C5)N)C
InChI
InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1
InChIKey
IXXFZUPTQVDPPK-ZAWHAJPISA-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
Solithromycin M1 PDM014465
155557946
Conjugation - N-Acetylation of arylamine 1 Human
Solithromycin M2 PDM014653 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Solithromycin M3 PDM014654 N. A. Conjugation - Glucuronidation of primary aromatic amine 1 Human
Solithromycin M4 PDM014655 N. A. Conjugation - N-Glucuronidation of tertiary aliphatic amine 1 Human
Solithromycin M5 PDM014656 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 ClinicalTrials.gov (NCT01756339) Efficacy and Safety Study of Oral Solithromycin (CEM-101) Compared to Oral Moxifloxacin in Treatment of Patients With Community-Acquired Bacterial Pneumonia. U.S. National Institutes of Health.
2 Metabolism, Excretion, and Mass Balance of Solithromycin in Humans

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