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Compound Detail

CHEMBL365100

FENPYROXYMATE
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Cc1nn(C)c(Oc2ccccc2)c1/C=N/OCc1ccc(C(=O)OC(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365100
Name FENPYROXYMATE
Phase Preclinical
Structure Type MOL
InChI Key YYJNOYZRYGDPNH-MFKUBSTISA-N
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
20
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
5.03
ALogP
7
HBA
0
HBD
74.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H27N3O4
MW 421.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.01

Activity Summary

IC50 3 meas. best 7.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NADH-ubiquinone oxidoreductase chain 1
CHEMBL4497
 IC50 7.74 7.74 18.2 1
Unchecked
CHEMBL612545
 IC50 6.26 5.63 549.5 2

Pharmacokinetic Data

Parameter Value Units Species
T1/2 631.2 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NADH-ubiquinone oxidoreductase chain 1 IC50 = 18.2 nM 7.74 Inhibition of Bos taurus (bovine) heart submitochondrial particle NDH1 assessed ... 8573592
Unchecked IC50 = 549.54 nM 6.26 Inhibition of Solanum tuberosum (potato) submitochondrial particle NDH1 assessed... 8573592
Unchecked IC50 = 10000.0 nM 5.0 Inhibition of Escherichia coli GR19N NDH1 assessed as deaminoNADH-DB reductase a... 8573592

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.cropro.2010.11.012 Tetranychus urticae 78
- 10.1016/j.cropro.2005.08.010 Tetranychus urticae 13
- 10.1584/jpestics.20.173 Rattus norvegicus 12
20309850 10.1002/ps.1943 Bombus terrestris 7
- 10.1584/jpestics.27.353 Tetranychus urticae 6
21432985 10.1002/ps.2145 Tetranychus evansi 4
- 10.1584/jpestics.20.173 Canis familiaris 4
8573592 10.1016/0005-2728(95)00131-x Unchecked 4
- 10.1584/jpestics.20.173 Tetranychus urticae 3
27503679 10.1016/j.bmcl.2016.07.068 Aphis craccivora 3
27503679 10.1016/j.bmcl.2016.07.068 Plutella xylostella 3
27503679 10.1016/j.bmcl.2016.07.068 Tetranychus cinnabarinus 3
18959421 10.1021/jf802429x Aphis medicaginis 3
18959421 10.1021/jf802429x Alternaria solani 1
18959421 10.1021/jf802429x Fusarium graminearum 1
18959421 10.1021/jf802429x Mycosphaerella arachidis 1
18959421 10.1021/jf802429x Cladosporium cucumerinum 1
15922597 10.1016/j.bmcl.2005.03.082 HCT-15 1
15922597 10.1016/j.bmcl.2005.03.082 XF498 1
15922597 10.1016/j.bmcl.2005.03.082 SK-MEL-2 1

Data from ChEMBL 36 via Core Engine