THIAMPHENICOL

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Synonyms
Status
Molecule Category Free-form
ATC J01BA02
UNII FLQ7571NPM
EPA CompTox DTXSID5021338

Structure

InChI Key OTVAEFIXJLOWRX-NXEZZACHSA-N
Smiles CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1
InChI
InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H15Cl2NO5S
Molecular Weight 356.23
AlogP 0.4
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 103.7
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

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
- - - - 102.12-103.48
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 102.12-103.48
Escherichia coli
- - - 400 -

Cross References

Resources Reference
ChEBI 32215
ChEMBL CHEMBL1236282
DrugBank DB08621
DrugCentral 2624
FDA SRS FLQ7571NPM
KEGG C12853
PDB TH8
PubChem 27200
SureChEMBL SCHEMBL34635
ZINC ZINC000000538440
CONTENTS