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

CHEMBL182777

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
C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)N4O3)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL182777
Phase Preclinical
Structure Type MOL
InChI Key YKBNCANYICUBKG-VFNXECEFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
3.86
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31NO3
MW 345.48
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.27

Literature References

PubMed DOI Target Context # Activities
15225708 10.1016/j.bmcl.2004.05.047 Muscarinic acetylcholine receptor M2 1
15225708 10.1016/j.bmcl.2004.05.047 Muscarinic acetylcholine receptor M1 1

Data from ChEMBL 36 via Core Engine