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Compound Detail

CHEMBL51588

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Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51588
Phase Preclinical
Structure Type MOL
InChI Key XGHNAKWHHPPVMG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

495.7
MW (Da)
5.81
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37N3O2
MW 495.67
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.20

Activity Summary

Ki 1 meas. best 6.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 6.91 6.91 122.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M2 Ki = 122.0 nM 6.91 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