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Quick search ChEMBL 36
Compound Detail

CHEMBL259728

NITENPYRAM
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CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259728
Name NITENPYRAM
Phase Preclinical
Structure Type MOL
InChI Key CFRPSFYHXJZSBI-DHZHZOJOSA-N
2
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

270.7
MW (Da)
1.85
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H15ClN4O2
MW 270.72
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.37

Activity Summary

IC50 5 meas. best 7.96
Ki 4 meas. best 9.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 9.72 7.85 0.2 4
Acetylcholine receptor subunit beta-like 2
CHEMBL2366470
 IC50 7.96 7.96 11.0 1
Unchecked
CHEMBL612545
 IC50 7.68 5.165 21.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.19 nM 9.72 Displacement of [3H]-methyl-SFX from nAChR in Myzus persicae 4106A (green peach ... 23112103
Unchecked Ki = 3.5 nM 8.46 Displacement of [3H]IMD from nAChR in Myzus persicae 4106A (green peach aphid) m... 23112103
Acetylcholine receptor subunit beta-like 2 IC50 = 11.0 nM 7.96 Displacement of [3H]IMI from nicotinic acetylcholine receptor in Drosophila mela... 10936213
Unchecked IC50 = 21.0 nM 7.68 Displacement of [3H]IMI from nicotinic acetylcholine receptor in Myzus persicae ... 10936213
Unchecked Ki = 180.0 nM 6.75 Displacement of [3H]EPI from Aplysia AChBP expressed in HEK293S cells by scintil... 17485662
Unchecked Ki = 335.0 nM 6.47 Displacement of [3H]ACE from Aplysia AChBP expressed in HEK293S cells by scintil... 17485662
Unchecked IC50 = 27600.0 nM 4.56 Displacement of [3H]PCP from nAChR in Apis mellifera (honeybee0 head homogenates -
Unchecked IC50 = 61300.0 nM 4.21 Displacement of [3H]alpha-BGT from nAChR in Apis mellifera (honeybee) head -
Unchecked IC50 = 61300.0 nM 4.21 Displacement of [3H]alpha-BGT from nAChR in Apis mellifera (honeybee) head homog... -

Literature References

PubMed DOI Target Context # Activities
21714058 10.1002/ps.2207 Aphis gossypii 10
21469732 10.1021/jf1049563 Nilaparvata lugens 4
- 10.1584/jpestics.20.49 Acetylcholine receptor subunit alpha 4
22950659 10.1021/jf3024479 Nilaparvata lugens 4
22950659 10.1021/jf3024479 Myzus persicae 4
19562662 10.1002/ps.1808 Bemisia tabaci 3
19937914 10.1002/ps.1877 Bemisia tabaci 3
23112103 10.1002/ps.3413 Unchecked 3
- 10.1016/j.cropro.2011.12.007 Trichogramma nubilale 3
20452211 10.1016/j.bmcl.2010.04.050 Nilaparvata lugens 3
34242031 10.1021/acs.jmedchem.1c00498 Anopheles gambiae 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.1584/jpestics.20.33 Acetylcholine receptor subunit alpha 2
- 10.1584/jpestics.20.57 Unchecked 2
21476569 10.1021/jf200485k Tyrosinase 2
23112103 10.1002/ps.3413 Myzus persicae 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
21476569 10.1021/jf200485k Unchecked 2
21476569 10.1021/jf200485k Aldehyde oxidase 1 2
17485662 10.1073/pnas.0703309104 Unchecked 2

Data from ChEMBL 36 via Core Engine