REL-(1R,2S)-2-AMINO-1-HYDROXY-3-PHENYLPROPYLPHOSPHONIC ACID

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Search structure


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	IPVUODADXZPVCG-DTWKUNHWSA-N
Smiles	N[C@@H](Cc1ccccc1)[C@H](O)P(=O)(O)O
InChI	InChI=1S/C9H14NO4P/c10-8(9(11)15(12,13)14)6-7-4-2-1-3-5-7/h1-5,8-9,11H,6,10H2,(H2,12,13,14)/t8-,9+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H14NO4P
Molecular Weight	231.19
AlogP	0.18
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	113.59
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	15.0

Assay Description	Organism	Bioactivity	Reference
Inhibition of growth of Lepidium sativum root at 0.15 mM relative to control	Lepidium sativum	86.0 %
Inhibition of growth of Lepidium sativum root at 0.05 mM relative to control	Lepidium sativum	82.0 %
Inhibition of microsomal aminopeptidase	None	None
Inhibition of cytosolic aminopeptidase	None	None
Inhibition of growth of Cucumis sativus (cucumber) hypocotyl at 1.5 mM relative to control	Cucumis sativus	64.0 %
Inhibition of growth of Cucumis sativus (cucumber) hypocotyl at 0.5 mM relative to control	Cucumis sativus	56.0 %
Inhibition of growth of Cucumis sativus (cucumber) hypocotyl at 0.15 mM relative to control	Cucumis sativus	45.0 %
Inhibition of growth of Cucumis sativus (cucumber) hypocotyl at 0.05 mM relative to control	Cucumis sativus	36.0 %
Inhibition of growth of Cucumis sativus (cucumber) root at 1.5 mM relative to control	Cucumis sativus	83.0 %
Inhibition of growth of Cucumis sativus (cucumber) root at 0.5 mM relative to control	Cucumis sativus	81.0 %
Inhibition of growth of Cucumis sativus (cucumber) root at 0.15 mM relative to control	Cucumis sativus	75.0 %
Inhibition of growth of Cucumis sativus (cucumber) root at 0.05 mM relative to control	Cucumis sativus	69.0 %
Inhibition of growth of Lepidium sativum hypocotyl at 1.5 mM relative to control	Lepidium sativum	68.0 %
Inhibition of growth of Lepidium sativum hypocotyl at 0.5 mM relative to control	Lepidium sativum	64.0 %
Inhibition of growth of Lepidium sativum hypocotyl at 0.15 mM relative to control	Lepidium sativum	46.0 %
Inhibition of growth of Lepidium sativum hypocotyl at 0.05 mM relative to control	Lepidium sativum	22.0 %
Inhibition of growth of Lepidium sativum root at 1.5 mM relative to control	Lepidium sativum	92.0 %
Inhibition of growth of Lepidium sativum root at 0.5 mM relative to control	Lepidium sativum	87.0 %

Cross References

Resources	Reference
ChEMBL	CHEMBL2287553
PubChem	76334639

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).