DIMINAZENE


Synonyms	Babesin Berenil Diminazene Ganasag
UNII	Y5G36EEA5Z
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	XNYZHCFCZNMTFY-UHFFFAOYSA-N
Smiles	NC(=N)c1ccc(NN=Nc2ccc(cc2)C(=N)N)cc1
InChI	InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C14H15N7
Molecular Weight	281.32
AlogP	1.7
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	5.0
Polar Surface Area	136.49
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Assay Description	Organism	Bioactivity
Insecticidal activity against Anticarsia gemmatalis (velvetbean caterpillar) assessed as reduction in survival time at over 150 ppm	Anticarsia gemmatalis	None
Insecticidal activity against Anticarsia gemmatalis (velvetbean caterpillar) assessed as reduction in survival time at > 100 ppm	Anticarsia gemmatalis	None
Insecticidal activity against Anticarsia gemmatalis (velvetbean caterpillar) assessed as specific amidolytic and esterolytic activity in midgut at 9.5 ppm	Anticarsia gemmatalis	None
Insecticidal activity against Anticarsia gemmatalis (velvetbean caterpillar) assessed as sharp decline in proteolytic activity in midgut using L-BApNA and L-TAME at 9.5 ppm	Anticarsia gemmatalis	None
Increase in protein digestibility in Anticarsia gemmatalis (velvetbean caterpillar) assessed as double the consumption at 76 ppm	Anticarsia gemmatalis	None
Effect on diet consumption in Anticarsia gemmatalis (velvetbean caterpillar) assessed as double the consumption at 76 ppm relative to control	Anticarsia gemmatalis	None
Insecticidal activity against Anticarsia gemmatalis (velvetbean caterpillar) assessed as decrease in pupa weight upto 80 ppm	Anticarsia gemmatalis	None
Insecticidal activity against Anticarsia gemmatalis (velvetbean caterpillar) assessed as prolongation of larval development upto 76 ppm	Anticarsia gemmatalis	None
Insecticidal activity against Anticarsia gemmatalis (velvetbean caterpillar) assessed as reduction in survival at > 76 ppm for more than 15 days	Anticarsia gemmatalis	None

Cross References

Resources	Reference
ChEMBL	CHEMBL35241
FDA SRS	Y5G36EEA5Z
PubChem	2354
SureChEMBL	SCHEMBL120719

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).