GSK2981278

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Synonyms
Status
Molecule Category Free-form
UNII L49V5G013I

Structure

InChI Key LZLBRISQTJVZNP-UHFFFAOYSA-N
Smiles CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)c(CO)c2)cc1
InChI
InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H35NO5S
Molecular Weight 461.62
AlogP 4.4
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 76.07
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group F Nuclear hormone receptor subfamily 1 group F member 3
- 3.2-30 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 3.2-30 - - -
Mus musculus
- - - - 64.3

Cross References

Resources Reference
ChEMBL CHEMBL4225088
DrugBank DB16319
FDA SRS L49V5G013I
Guide to Pharmacology 9661
SureChEMBL SCHEMBL15352875
ZINC ZINC000142250256
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