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Compound Detail

CHEMBL322378

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Cc1cc(C(=O)c2ccccc2)ccc1NC(=O)CC1CCCN2CCCC[C@H]12

Basic Information

ChEMBL ID CHEMBL322378
Phase Preclinical
Structure Type MOL
InChI Key UYQFMKJXWOUBBI-GWQXNCQPSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
4.82
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2O2
MW 390.53
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.81

Activity Summary

IC50 3 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M1
CHEMBL276
IC50 8.1 8.1 8.0 1
Muscarinic acetylcholine receptor M3
CHEMBL320
IC50 5.89 5.89 1300.0 1
Muscarinic acetylcholine receptor M2
CHEMBL309
IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10571170 10.1016/s0960-894x(99)00528-4 Muscarinic acetylcholine receptor M1 1
10571170 10.1016/s0960-894x(99)00528-4 Muscarinic acetylcholine receptor M2 1
10571170 10.1016/s0960-894x(99)00528-4 Muscarinic acetylcholine receptor M3 1

Data from ChEMBL 36 via Core Engine