OXYTETRACYCLINE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC D06AA03 G01AA07 J01AA06 S01AA04
UNII SLF0D9077S
EPA CompTox DTXSID1034260

Structure

InChI Key IWVCMVBTMGNXQD-PXOLEDIWSA-N
Smiles CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12
InChI
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24N2O9
Molecular Weight 460.44
AlogP -1.24
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 2.0
Polar Surface Area 201.85
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR KEGG
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 61.86-95.2
Unclassified protein
- - - - 40
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 61.86-95.2

Related Entries

Cross References

Resources Reference
ChEBI 27701
ChEMBL CHEMBL1517
DrugBank DB00595
DrugCentral 2041
FDA SRS SLF0D9077S
Guide to Pharmacology 10919
KEGG C06624
PDB OTC
SureChEMBL SCHEMBL2899
ZINC ZINC000095626782
CONTENTS