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Compound Detail

CHEMBL2287445

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CCN(Cc1ccc(Cl)nc1)/C(C)=N/C#N

Basic Information

ChEMBL ID CHEMBL2287445
Phase Preclinical
Structure Type MOL
InChI Key QQFAZFZNLZJZBT-OQLLNIDSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

236.7
MW (Da)
2.46
ALogP
3
HBA
0
HBD
52.3
PSA (Ų)
0.35
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 C11H13ClN4
MW 236.71
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.84

Activity Summary

EC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Musca domestica
CHEMBL613469
EC50 5.52 5.52 3019.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Musca domestica EC50 = 3019.95 nM 5.52 Insecticidal activity against Musca domestica (house fly) dosed through injectio... -

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.28.8 Periplaneta americana 3
- 10.1584/jpestics.28.8 No relevant target 1
- 10.1584/jpestics.28.8 Abdominal central nerve cord 1
- 10.1584/jpestics.28.8 Musca domestica 1

Data from ChEMBL 36 via Core Engine