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Compound Detail

CHEMBL131840

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CN1CCC=C(c2nccnc2Cl)C1

Basic Information

ChEMBL ID CHEMBL131840
Phase Preclinical
Structure Type MOL
InChI Key KRFOYOCNRILWAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

209.7
MW (Da)
1.85
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12ClN3
MW 209.68
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.26

Activity Summary

IC50 1 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 6.56 6.56 276.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1433209 10.1021/jm00100a005 Muscarinic acetylcholine receptor M1 3

Data from ChEMBL 36 via Core Engine