ROSIPTOR


Synonyms	AQX-1125 AQX-1125 free base Aqx-1125 Rosiptor
Status
Molecule Category	UNKNOWN
UNII	6R5034F862


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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

Bioactivity

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


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

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).