DIMETHIRIMOL

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Search structure


Molecule Category	Free-form
UNII	1V1RC2A67P
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	CJHXCRMKMMBYJQ-UHFFFAOYSA-N
Smiles	CCCCc1c(C)nc(nc1O)N(C)C
InChI	InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C11H19N3O
Molecular Weight	209.29
AlogP	3.17
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	49.25
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	15.0

Assay Description	Organism	Bioactivity	Reference
Fungicidal activity against Podosphaera fuliginea in cucumber assessed as control of cucumber powdery mildew at 62.5 ppm measured after 10 days of inoculation	Podosphaera fuliginea	100.0 %
Fungicidal activity against Podosphaera fuliginea in cucumber assessed as control of cucumber powdery mildew at 125 ppm measured after 10 days of inoculation	Podosphaera fuliginea	100.0 %
Fungicidal activity against Podosphaera fuliginea in cucumber assessed as control of cucumber powdery mildew at 62.5 ppm measured after 7 days of inoculation	Podosphaera fuliginea	100.0 %
Fungicidal activity against Podosphaera fuliginea in cucumber assessed as control of cucumber powdery mildew at 125 ppm measured after 7 days of inoculation	Podosphaera fuliginea	100.0 %
Resistant ratio, ratio of EC50 for Podosphaera fuliginea isolate N-2 to EC50 for Podosphaera fuliginea isolate K-7	Podosphaera fuliginea	218.6
Resistant ratio, ratio of EC50 for Podosphaera fuliginea isolate N-1 to EC50 for Podosphaera fuliginea isolate K-7	Podosphaera fuliginea	223.7
Resistant ratio, ratio of EC50 for Podosphaera fuliginea isolate S-2 to EC50 for Podosphaera fuliginea isolate K-7	Podosphaera fuliginea	157.3
Antifungal activity against Podosphaera fuliginea isolate K-7 in cucumber plants assessed as percentage of infected leaf area at 62.5 ppm treated 3 times at 7-day interval by foliar spray test	Podosphaera fuliginea	98.8 %
Antifungal activity against Podosphaera fuliginea isolate N-2 in cucumber plants assessed as percentage of infected leaf area at 62.5 ppm treated 3 times at 7-day interval by foliar spray test	Podosphaera fuliginea	47.4 %
Antifungal activity against Podosphaera fuliginea isolate N-1 in cucumber plants assessed as percentage of infected leaf area at 62.5 ppm treated 3 times at 7-day interval by foliar spray test	Podosphaera fuliginea	49.4 %
Antifungal activity against Podosphaera fuliginea isolate S-2 in cucumber plants assessed as percentage of infected leaf area at 62.5 ppm treated 3 times at 7-day interval by foliar spray test	Podosphaera fuliginea	55.2 %
Antifungal activity against Podosphaera fuliginea isolate K-7 in cucumber plants by leaf disc method	Podosphaera fuliginea	2.95 10'-2ppm
Antifungal activity against Podosphaera fuliginea isolate N-2 in cucumber plants by leaf disc method	Podosphaera fuliginea	6.45 ppm
Antifungal activity against Podosphaera fuliginea isolate N-1 in cucumber plants by leaf disc method	Podosphaera fuliginea	6.6 ppm
Antifungal activity against Podosphaera fuliginea isolate S-2 in cucumber plants by leaf disc method	Podosphaera fuliginea	4.64 ppm

Cross References

Resources	Reference
ChEMBL	CHEMBL2288252
FDA SRS	1V1RC2A67P
PubChem	21290
SureChEMBL	SCHEMBL54527

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).