TROLEANDOMYCIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1969)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01FA08
UNII: C4DZ64560D

Structure
InChI Key LQCLVBQBTUVCEQ-QTFUVMRISA-N
Smile CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[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]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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 184.19
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 57.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 70S ribosome inhibitor KEGG PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 7998-61000 - - -
Enzyme Hydrolase
- - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 41

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
100.0

Cross References

Resources Reference
CAS NUMBER 2751-09-9
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
CONTENTS