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Compound Detail

CHEMBL11710

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O=C(O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL11710
Phase Preclinical
Structure Type MOL
InChI Key LKCWSPBJOVCDOX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

502.7
MW (Da)
5.58
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.43
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34N2O3S
MW 502.68
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
Ki 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11909724 10.1016/s0960-894x(02)00096-3 Muscarinic acetylcholine receptor M2 1
11909724 10.1016/s0960-894x(02)00096-3 Muscarinic acetylcholine receptors; M2 & M3 1
11909724 10.1016/s0960-894x(02)00096-3 Muscarinic acetylcholine receptor M2 and M4 1
11909724 10.1016/s0960-894x(02)00096-3 Muscarinic acetylcholine receptor M2 and M5 1

Data from ChEMBL 36 via Core Engine