MB07811

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
UNII: 3Z11398FNQ

Structure
InChI Key LGGPZDRLTDGYSQ-JADSYQMUSA-N
Smile Cc1cc(OC[P@@]2(=O)OCC[C@@H](c3cccc(Cl)c3)O2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChI
InChI=1S/C28H32ClO5P/c1-18(2)25-14-21(8-9-27(25)30)15-26-19(3)12-24(13-20(26)4)32-17-35(31)33-11-10-28(34-35)22-6-5-7-23(29)16-22/h5-9,12-14,16,18,28,30H,10-11,15,17H2,1-4H3/t28-,35+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H32ClO5P
Molecular Weight 514.99
AlogP 8.08
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 64.99
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Thyroid hormone receptor beta-1 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 A Nuclear hormone receptor subfamily 1 group A member 1
- - - 12500 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group A Nuclear hormone receptor subfamily 1 group A member 2
- - - 600 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypercholesterolemia 2 D006937 ClinicalTrials
Hyperlipidemias 2 D006949 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL457748
DrugBank DB15137
FDA SRS 3Z11398FNQ
SureChEMBL SCHEMBL282796
ZINC ZINC000034777163
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