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Compound Detail

CHEMBL2287448

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

Basic Information

ChEMBL ID CHEMBL2287448
Phase Preclinical
Structure Type MOL
InChI Key XCLRBPNSFVYAEZ-MHWRWJLKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

248.7
MW (Da)
2.62
ALogP
3
HBA
0
HBD
52.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13ClN4
MW 248.72
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.75

Activity Summary

EC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Musca domestica
CHEMBL613469
EC50 4.46 4.46 34673.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Musca domestica EC50 = 34673.69 nM 4.46 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