TELITHROMYCIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01FA15
UNII KI8H7H19WL
EPA CompTox DTXSID3046455

Structure

InChI Key LJVAJPDWBABPEJ-PNUFFHFMSA-N
Smiles CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C
InChI
InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H65N5O10
Molecular Weight 812.02
AlogP 4.93
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 171.85
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 58.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - 2.4 -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A5
- - - 2.4 -
Enzyme Oxidoreductase
- - - 2.4 -
Other cytosolic protein
- - 6.4 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 60.1-62.01
Unclassified protein
- - 6.4 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 60.1-62.01
Escherichia coli
- 230 6.4 - -
Homo sapiens
- - - 2.4 -
Plasmodium falciparum 3D7
- 280-440 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1136
DrugBank DB00976
DrugCentral 2581
FDA SRS KI8H7H19WL
Guide to Pharmacology 10878
PDB TEL
PubChem 3002190
SureChEMBL SCHEMBL5100
ZINC ZINC000009574770
CONTENTS