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Compound Detail

CHEMBL2272690

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CN1CCN(Cc2ccc(Cl)nc2)/C(=N/C#N)C1=O

Basic Information

ChEMBL ID CHEMBL2272690
Phase Preclinical
Structure Type MOL
InChI Key GWNHITXDNISDIP-LFIBNONCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

277.7
MW (Da)
0.89
ALogP
4
HBA
0
HBD
72.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12ClN5O
MW 277.71
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.32

Activity Summary

Ki 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinic acetylcholine receptor alpha 5 subunit
CHEMBL2366408
Ki 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12720388 10.1021/jf021185r Aphis gossypii 3
12720388 10.1021/jf021185r Nephotettix cincticeps 1
12720388 10.1021/jf021185r Nilaparvata lugens 1
12720388 10.1021/jf021185r Bemisia tabaci 1
12720388 10.1021/jf021185r Nicotinic acetylcholine receptor alpha 5 subunit 1

Data from ChEMBL 36 via Core Engine