TTC-352

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Synonyms
Status
Molecule Category Free-form
UNII 65ILH3Y0MI

Structure

InChI Key UDBMVVLTKJMPCJ-UHFFFAOYSA-N
Smiles Oc1ccc(Oc2sc3cc(O)ccc3c2-c2ccc(F)cc2)cc1
InChI
InChI=1S/C20H13FO3S/c21-13-3-1-12(2-4-13)19-17-10-7-15(23)11-18(17)25-20(19)24-16-8-5-14(22)6-9-16/h1-11,22-23H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H13FO3S
Molecular Weight 352.39
AlogP 5.91
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 49.69
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
0.8-0.8 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.8-0.8 - - - 50.6-123

Cross References

Resources Reference
ChEMBL CHEMBL3763743
FDA SRS 65ILH3Y0MI
PDB V9J
PubChem 74222430
SureChEMBL SCHEMBL15658409
ZINC ZINC000142811360
CONTENTS