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Compound Detail

CHEMBL51982

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Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)(C)C)cc3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51982
Phase Preclinical
Structure Type MOL
InChI Key TWPFYIIQRRJSJP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

475.7
MW (Da)
5.08
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H41N3O2
MW 475.68
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.16

Activity Summary

Ki 1 meas. best 6.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 6.97 6.97 106.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M2 Ki = 106.0 nM 6.97 Binding affinity against cloned human muscarinic acetylcholine receptor M2. 15026073

Literature References

PubMed DOI Target Context # Activities
15026073 10.1016/j.bmcl.2004.01.033 Muscarinic acetylcholine receptor M2 1
15026073 10.1016/j.bmcl.2004.01.033 Muscarinic acetylcholine receptors; M1 & M2 1
15026073 10.1016/j.bmcl.2004.01.033 Muscarinic acetylcholine receptors; M2 & M3 1
15026073 10.1016/j.bmcl.2004.01.033 Muscarinic acetylcholine receptor M2 and M4 1
15026073 10.1016/j.bmcl.2004.01.033 Muscarinic acetylcholine receptor M2 and M5 1

Data from ChEMBL 36 via Core Engine