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Compound Detail

CHEMBL2251730

IMIDACLOTHIZ
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O=[N+]([O-])/N=C1\NCCN1Cc1cnc(Cl)s1

Basic Information

ChEMBL ID CHEMBL2251730
Name IMIDACLOTHIZ
Phase Preclinical
Structure Type MOL
InChI Key OWRSHPAYDYCHSJ-UHFFFAOYSA-N
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

261.7
MW (Da)
0.75
ALogP
4
HBA
1
HBD
83.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8ClN5O2S
MW 261.69
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.23

Activity Summary

IC50 4 meas. best 8.09
EC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholine receptor subunit beta-like 2
CHEMBL2366470
IC50 8.09 7.93 8.2 2
Nicotinic acetylcholine receptor alpha 5 subunit
CHEMBL2366408
IC50 7.92 7.92 12.0 1
Unchecked
CHEMBL612545
IC50 7.68 7.68 21.0 1
Nicotinic acetylcholine receptor alpha8 subunit
CHEMBL2366437
EC50 5.8 5.8 1584.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.cropro.2011.12.007 Trichogramma nubilale 3
10936213 10.1046/j.1471-4159.2000.751294.x Acetylcholine receptor subunit beta-like 2 2
- 10.1584/jpestics.31.35 Nicotinic acetylcholine receptor alpha8 subunit 2
17263479 10.1021/jf0623440 No relevant target 1
17263479 10.1021/jf0623440 Periplaneta americana 1
17263479 10.1021/jf0623440 Nicotinic acetylcholine receptor alpha8 subunit 1
20879794 10.1021/jf102525e No relevant target 1
20879794 10.1021/jf102525e Periplaneta americana 1
20879794 10.1021/jf102525e Nicotinic acetylcholine receptor alpha8 subunit 1
10936213 10.1046/j.1471-4159.2000.751294.x Nicotinic acetylcholine receptor alpha 5 subunit 1
10936213 10.1046/j.1471-4159.2000.751294.x Unchecked 1
27316887 10.1271/bbb.57.127 Nephotettix cincticeps 1
- 10.1584/jpestics.31.35 Periplaneta americana 1
- 10.1584/jpestics.31.35 No relevant target 1
- 10.1584/jpestics.R07-05 No relevant target 1
- 10.1584/jpestics.R07-05 Periplaneta americana 1

Data from ChEMBL 36 via Core Engine