[32P]-POTASSIUM PHOSPHONATE


Molecule Category	Salt-form
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


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

Structure


InChI Key	BJOFGDRHPOYQKI-VLROPVBBSA-N
Smiles	[K+].O[32P-](=O)O
InChI	InChI=1S/K.H2O3P/c;1-4(2)3/h;(H2,1,2,3)/q+1;-1/i;4+1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	H2KO3P
Molecular Weight	121.11
AlogP	-1.0
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	0.0
Polar Surface Area	60.23
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	4.0

Assay Description	Organism	Bioactivity
Drug uptake in Piper nigrum root at 370 MBq treated lower surface of leaf after 3 days by liquid scintillation counting	Piper nigrum	5.95 %
Drug uptake in Piper nigrum growing soil at 370 MBq treated lower surface of leaf after 3 days by liquid scintillation counting	Piper nigrum	0.3 %
Drug uptake in Piper nigrum stem at 370 MBq treated lower surface of leaf after 3 days by liquid scintillation counting	Piper nigrum	39.89 %
Drug uptake in Piper nigrum berry at 370 MBq treated lower surface of leaf after 3 days by liquid scintillation counting	Piper nigrum	51.74 %
Drug uptake in Piper nigrum leaf at 370 MBq treated lower surface of leaf after 3 days by liquid scintillation counting	Piper nigrum	2.12 %
Drug uptake in Piper nigrum growing soil at 370 MBq treated lower surface of leaf measured per gram after 18 days interval by autoradiography	Piper nigrum	2.0 cpm
Drug uptake in Piper nigrum stem at 370 MBq treated lower surface of leaf measured per gram after 18 days interval by autoradiography	Piper nigrum	278.0 cpm
Drug uptake in Piper nigrum berry at 370 MBq treated lower surface of leaf measured per gram after 18 days interval by autoradiography	Piper nigrum	336.0 cpm
Drug uptake in Piper nigrum root at 370 MBq treated lower surface of leaf measured per gram after 18 days interval by autoradiography	Piper nigrum	39.0 cpm
Drug uptake in Piper nigrum leaf at 370 MBq treated lower surface of leaf measured per gram after 18 days interval by autoradiography	Piper nigrum	19.0 cpm
Drug uptake in Piper nigrum compound treated leaf at 370 MBq treated lower surface of leaf measured per gram after 18 days interval by autoradiography	Piper nigrum	16822.0 cpm

Cross References

Resources	Reference
ChEMBL	CHEMBL2251717

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).