TRIBENURON METHYL


Synonyms	Tribenuron Methyl
UNII	D0493A985P
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	VLCQZHSMCYCDJL-UHFFFAOYSA-N
Smiles	COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2
InChI	InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H17N5O6S
Molecular Weight	395.39
AlogP	1.26
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	149.05
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	27.0

Assay Description	Organism	Bioactivity
Herbicidal activity against Amaranthus tricolor assessed as plant dead at 25 to 32 degC measured after 7 days	Amaranthus tricolor	22.4 ug.mL-1
Inhibition of Arabidopsis thaliana AHAS expressed in Escherichia coli strain BL21 (DE3) by colorimetric assay	Arabidopsis thaliana	253.0 nM
Herbicidal activity against ALS-inhibiting herbicide-resistant six to eight-leaf stage Bifora radians infested wheat field at ED90 applied by spraying relative to ALS-inhibiting herbicide-sensitive Bifora radians	Bifora radians	2.4
Herbicidal activity against ALS-inhibiting herbicide-resistant four to six-leaf stage Bifora radians infested wheat field at ED90 applied by spraying relative to ALS-inhibiting herbicide-sensitive Bifora radians	Bifora radians	1.9
Herbicidal activity against ALS-inhibiting herbicide-resistant six to eight-leaf stage Bifora radians infested wheat field at ED50 applied by spraying relative to ALS-inhibiting herbicide-sensitive Bifora radians	Bifora radians	2.0
Herbicidal activity against ALS-inhibiting herbicide-resistant two to four-leaf stage Bifora radians infested wheat field at ED90 applied by spraying relative to ALS-inhibiting herbicide-sensitive Bifora radians	Bifora radians	1.8
Herbicidal activity against ALS-inhibiting herbicide-resistant four to six-leaf stage Bifora radians infested wheat field at ED50 applied by spraying relative to ALS-inhibiting herbicide-sensitive Bifora radians	Bifora radians	1.8
Herbicidal activity against ALS-inhibiting herbicide-resistant two to four-leaf stage Bifora radians infested wheat field at ED50 applied by spraying relative to ALS-inhibiting herbicide-sensitive Bifora radians	Bifora radians	1.7

Cross References

Resources	Reference
ChEMBL	CHEMBL1229780
FDA SRS	D0493A985P
PDB	1TB
PubChem	153909
SureChEMBL	SCHEMBL54532

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).