ROSIPTOR

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Synonyms
Status
Molecule Category Free-form
UNII 6R5034F862

Structure

InChI Key MDEJTPWQNNMAQF-BVMLLJBZSA-N
Smiles C=C1CC[C@H]2[C@H](CN)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3CO)CC[C@]12C
InChI
InChI=1S/C20H35NO2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22/h14-18,22-23H,1,4-12,21H2,2-3H3/t14-,15+,16+,17+,18+,19-,20+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H35NO2
Molecular Weight 321.5
AlogP 3.1
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 66.48
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 1 activator ACTIVATOR PubMed Other

Target Conservation

Protein: Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 1
Description: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Organism : Homo sapiens
Q92835 ENSG00000168918

Cross References

Resources Reference
ChEMBL CHEMBL3989954
DrugBank DB13012
FDA SRS 6R5034F862
Guide to Pharmacology 9249
PubChem 76965484
SureChEMBL SCHEMBL16055992
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