PROPAMOCARB HYDROCHLORIDE


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	MKIMSXGUTQTKJU-UHFFFAOYSA-N
Smiles	Cl.CCCOC(=O)NCCCN(C)C
InChI	InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H21ClN2O2
Molecular Weight	224.73
AlogP	1.09
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	41.57
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	13.0

Assay Description	Organism	Bioactivity
Fungicidal activity against Macrophomina phaseolina in non-grafted Melon plants cv. 6405 plots assessed as disease incidence exposed to compound at 350 ml/1000 m2 of commercial product applied as soil drench three times during growing season (Rvb = 65%)	Macrophomina phaseolina	30.0 %
Fungicidal activity against Macrophomina phaseolina assessed as mycelial growth inhibition incubated at 27 degC for 5 days	Macrophomina phaseolina	0.9 mg.kg-1
Induction of systemic acquired resistance against Hyaloperonospora parasitica-induced downy mildew disease in white cabbage assessed as infected leaf area sprayed on leaves of one week old seedlings relative to untreated control	Hyaloperonospora parasitica	56.4 %

Cross References

Resources	Reference
ChEMBL	CHEMBL1886212

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).