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Compound Detail

CHEMBL611476

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CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL611476
Phase Preclinical
Structure Type MOL
InChI Key USLUKHOTVZTHDX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.04
ALogP
4
HBA
1
HBD
65.5
PSA (Ų)
0.90
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 C20H22N4O2
MW 350.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.97

Activity Summary

Ki 2 meas. best 7.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
Ki 7.15 7.15 71.2 1
Muscarinic acetylcholine receptor M1
CHEMBL216
Ki 7.08 7.08 82.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00107-2 Muscarinic acetylcholine receptor M1 1
- 10.1016/0960-894X(96)00107-2 Muscarinic acetylcholine receptor M2 1
- 10.1016/0960-894X(96)00107-2 Muscarinic acetylcholine receptors; M1 & M2 1

Data from ChEMBL 36 via Core Engine