TRIPARANOL

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Synonyms
Status
Molecule Category Free-form
UNII 63S8C3RXGS
EPA CompTox DTXSID6046507

Structure

InChI Key SYHDSBBKRLVLFF-UHFFFAOYSA-N
Smiles CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1
InChI
InChI=1S/C27H32ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H32ClNO2
Molecular Weight 438.01
AlogP 5.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 32.7
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Delta(24)-sterol reductase inhibitor INHIBITOR PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- - - 2-11 -
Membrane receptor
- - - 8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 8 -
Homo sapiens
- - - 11 -
Saccharomyces cerevisiae
- - - 2 -

Target Conservation

Protein: Delta(24)-sterol reductase
Description: Delta(24)-sterol reductase
Organism : Homo sapiens
Q15392 ENSG00000116133

Cross References

Resources Reference
ChEBI 135714
ChEMBL CHEMBL187709
DrugCentral 2761
FDA SRS 63S8C3RXGS
PubChem 6536
SureChEMBL SCHEMBL133384
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