TROLEANDOMYCIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01FA08
UNII C4DZ64560D

Structure

InChI Key LQCLVBQBTUVCEQ-QTFUVMRISA-N
Smiles CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
InChI
InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C41H67NO15
Molecular Weight 813.98
AlogP 3.62
Hydrogen Bond Acceptor 16.0
Number of Rotational Bond 9.0
Polar Surface Area 184.19
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 57.0

Pharmacology

Mechanism of Action Action Reference
70S ribosome inhibitor INHIBITOR KEGG PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -1.09-14.76
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 40.51-41.97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 40.51-41.97
Electrophorus electricus
- - - - 14.76
Equus caballus
- - - -

Related Entries

Cross References

Resources Reference
ChEBI 45735
ChEMBL CHEMBL564085
DrugBank DB13179
DrugCentral 2769
FDA SRS C4DZ64560D
Human Metabolome Database HMDB0015448
Guide to Pharmacology 10209
KEGG C12753
PharmGKB PA127840611
PubChem 202225
SureChEMBL SCHEMBL125071
ZINC ZINC000169307271
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