NIDUFEXOR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CJ1PL0TE6J

Structure
InChI Key JYTIXGYXBIBOMN-UHFFFAOYSA-N
Smile Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)c2c1-c1cc(Cl)ccc1OC2
InChI
InChI=1S/C27H22ClN3O4/c1-30-25-21-13-20(28)11-12-23(21)35-16-22(25)24(29-30)26(32)31(14-17-5-3-2-4-6-17)15-18-7-9-19(10-8-18)27(33)34/h2-13H,14-16H2,1H3,(H,33,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H22ClN3O4
Molecular Weight 487.94
AlogP 5.17
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 84.66
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Bile acid receptor FXR agonist PubMed Other
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 H Nuclear hormone receptor subfamily 1 group H member 4
7-32 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetic Nephropathies 2 D003928 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297626
DrugBank DB16255
FDA SRS CJ1PL0TE6J
Guide to Pharmacology 10655
PubChem 118063735
SureChEMBL SCHEMBL16702097
ZINC ZINC000584641402
CONTENTS