THIAMPHENICOL

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01BA02
UNII: FLQ7571NPM

Structure
InChI Key OTVAEFIXJLOWRX-NXEZZACHSA-N
Smile 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
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Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 15318-45-3
ChEBI 32215
ChEMBL CHEMBL1236282
DrugBank DB08621
DrugCentral 2624
EPA CompTox DTXSID5021338
FDA SRS FLQ7571NPM
KEGG C12853
PDB TH8
PubChem 27200
SureChEMBL SCHEMBL34635
ZINC ZINC000000538440
CONTENTS