BLASTADIN S

/static/temp/default.svg 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 ...

Structure

InChI Key QSDNSVYJGONIFW-ZNIXKSQXSA-N
Smiles CN(CC[C@H](N)CC(=O)N[C@H]1CC[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)C(=N)N
InChI
InChI=1S/C17H28N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h5,7,9-10,13-14H,2-4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28N8O5
Molecular Weight 424.45
AlogP -5.5
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 9.0
Polar Surface Area 213.45
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 30.0
Assay Description Organism Bioactivity Reference
In vivo antifungal activity against Magnaporthe oryzae infected rice seedlings assessed as control of rice blast disease development at 1 ug/ml treated 1 day before spore inoculation measured 3-7 days after inoculation Magnaporthe oryzae 65.5 %
In vivo antifungal activity against Magnaporthe oryzae infected rice seedlings assessed as control of rice blast disease development at 50 ug/ml treated 1 day before spore inoculation measured 3-7 days after inoculation Magnaporthe oryzae 100.0 %
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of aerial mycelial growth at 0.04 ug/disk after 5 days by paper disk method Streptomyces alboniger None
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of aerial mycelial growth at 0.4 ug/disk after 5 days by paper disk method Streptomyces alboniger None
Antimicrobial activity against Streptomyces alboniger IFO 12738 assessed as inhibition of aerial mycelial growth at 4 ug/disk after 5 days by paper disk method Streptomyces alboniger None
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of aerial mycelial growth at 0.4 ug/disk after 5 days by paper disk method Streptomyces acidiscabies None
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of aerial mycelial growth at 0.04 ug/disk after 5 days by paper disk method Streptomyces acidiscabies None
Antimicrobial activity against Streptomyces acidiscabies ATCC 4900315 assessed as inhibition of aerial mycelial growth at 4 ug/disk after 5 days by paper disk method Streptomyces acidiscabies 9.0 mm
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of aerial mycelial growth at 0.04 ug/disk after 5 days by paper disk method Streptomyces scabiei None
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of aerial mycelial growth at 4 ug/disk after 5 days by paper disk method Streptomyces scabiei 23.0 mm
Antimicrobial activity against Streptomyces scabiei ATCC 4917314 assessed as inhibition of aerial mycelial growth at 0.40 ug/disk after 5 days by paper disk method Streptomyces scabiei 10.0 mm

Cross References

Resources Reference
ChEMBL CHEMBL2228646
PubChem 42626766
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