SOLITHROMYCIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC J01FA16
UNII 9U1ETH79CK

Structure

InChI Key IXXFZUPTQVDPPK-ZAWHAJPISA-N
Smiles CC[C@H]1OC(=O)[C@@](C)(F)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(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H65FN6O10
Molecular Weight 845.02
AlogP 4.6
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 197.87
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 60.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- - 0.6 60.3 47
Unclassified protein
- - 0.6 60.3 47
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- - 0.6 - 47
Staphylococcus aureus
- - - 60.3 -

Cross References

Resources Reference
ChEMBL CHEMBL1232510
DrugBank DB09308
FDA SRS 9U1ETH79CK
Guide to Pharmacology 10859
PDB EM1
PubChem 25242512
SureChEMBL SCHEMBL19114493
ZINC ZINC000095627834
CONTENTS