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Compound Detail

CHEMBL2272997

(R)-METHYL-IMIDACLOPRID
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C[C@H](c1ccc(Cl)nc1)N1CCN/C1=N\[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL2272997
Name (R)-METHYL-IMIDACLOPRID
Phase Preclinical
Structure Type MOL
InChI Key PCQCQCIFVHSSNM-SSDOTTSWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

269.7
MW (Da)
1.25
ALogP
3
HBA
1
HBD
83.7
PSA (Ų)
0.51
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 C10H12ClN5O2
MW 269.69
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinic acetylcholine receptor alpha 5 subunit
CHEMBL2366408
IC50 6.02 6.02 950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.29.43 Periplaneta americana 3
12834274 10.1271/bbb.67.980 Musca domestica 2
- 10.1584/jpestics.29.43 Myzus persicae 2
- 10.1584/jpestics.29.43 Nephotettix cincticeps 2
- 10.1584/jpestics.29.43 Aulacophora 2
- 10.1584/jpestics.29.43 Musca domestica 2
12834274 10.1271/bbb.67.980 Nicotinic acetylcholine receptor alpha 5 subunit 1
12834274 10.1271/bbb.67.980 Periplaneta americana 1
- 10.1584/jpestics.29.43 Nicotinic acetylcholine receptor alpha 5 subunit 1

Data from ChEMBL 36 via Core Engine