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Compound Detail

CHEMBL2269820

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C/C(=N\C#N)N(C)Cc1cnc(Cl)s1

Basic Information

ChEMBL ID CHEMBL2269820
Phase Preclinical
Structure Type MOL
InChI Key RKFXZRRJPRUWET-WUXMJOGZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

228.7
MW (Da)
2.13
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.44
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 C8H9ClN4S
MW 228.71
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.89

Activity Summary

IC50 2 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.19 7.19 65.0 1
Acetylcholine receptor subunit beta-like 2
CHEMBL2366470
IC50 6.81 6.81 154.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10936213 10.1046/j.1471-4159.2000.751294.x Acetylcholine receptor subunit beta-like 2 1
10936213 10.1046/j.1471-4159.2000.751294.x Unchecked 1

Data from ChEMBL 36 via Core Engine