Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL275347

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(c1cccc2ccccc12)N1CCC(N2CCC(Cc3ccc(SCCO)cc3)CC2)CC1

Basic Information

ChEMBL ID CHEMBL275347
Phase Preclinical
Structure Type MOL
InChI Key SATBVHCOHOPRPV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

488.7
MW (Da)
5.48
ALogP
4
HBA
1
HBD
43.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36N2O2S
MW 488.70
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.98

Activity Summary

Ki 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
Ki 7.58 7.58 26.0 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 receptors; M2 & M3 2
11909724 10.1016/s0960-894x(02)00096-3 Muscarinic acetylcholine receptor M2 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