CETHROMYCIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII J0086219X6

Structure

InChI Key PENDGIOBPJLVBT-AMXFZXBBSA-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)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C
InChI
InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H59N3O10
Molecular Weight 765.95
AlogP 5.11
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 162.82
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 55.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR PubMed Other
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Streptococcus pneumoniae
- 40 - - -

Cross References

Resources Reference
ChEBI 29506
ChEMBL CHEMBL3989904
DrugBank DB06419
FDA SRS J0086219X6
Guide to Pharmacology 10791
PubChem 156417
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