CILOFEXOR

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: YUN2306954

Structure
InChI Key KZSKGLFYQAYZCO-UHFFFAOYSA-N
Smile O=C(O)c1ccnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1
InChI
InChI=1S/C28H22Cl3N3O5/c29-20-2-1-3-21(30)24(20)25-18(26(39-33-25)15-4-5-15)12-38-17-6-7-19(22(31)11-17)28(37)13-34(14-28)23-10-16(27(35)36)8-9-32-23/h1-3,6-11,15,37H,4-5,12-14H2,(H,35,36)

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H22Cl3N3O5
Molecular Weight 586.86
AlogP 6.56
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 108.92
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Bile acid receptor FXR agonist PubMed
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
15-41 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cholangitis, Sclerosing 3 D015209 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Liver Cirrhosis, Biliary 2 D008105 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1418274-28-8
ChEMBL CHEMBL4297613
DrugBank DB15168
FDA SRS YUN2306954
Guide to Pharmacology 10644
PubChem 71228883
SureChEMBL SCHEMBL14641986
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