EXICORILANT

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII GTB859B7K8

Structure

InChI Key HWJYJKAURRIWJM-GKVSMKOHSA-N
Smiles Cn1ncc(S(=O)(=O)N2CC[C@H]3Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)n1
InChI
InChI=1S/C26H23F4N7O3S/c1-35-32-14-23(34-35)41(39,40)36-9-7-17-11-22-16(13-33-37(22)20-4-2-19(27)3-5-20)12-25(17,15-36)24(38)21-10-18(6-8-31-21)26(28,29)30/h2-6,8,10,13-14,17H,7,9,11-12,15H2,1H3/t17-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H23F4N7O3S
Molecular Weight 589.58
AlogP 3.23
Hydrogen Bond Acceptor 9.0
Number of Rotational Bond 5.0
Polar Surface Area 115.87
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 41.0

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 C Nuclear hormone receptor subfamily 3 group C member 1
- - - 12 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 12 -

Cross References

Resources Reference
ChEMBL CHEMBL4089731
DrugBank DB16162
FDA SRS GTB859B7K8
SureChEMBL SCHEMBL16737057
CONTENTS