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Compound Detail

CHEMBL1289433

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O=C(c1cccnc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1289433
Phase Preclinical
Structure Type MOL
InChI Key AQIDBTIRISFWQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
3.24
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN3O2
MW 385.89
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
21036043 10.1016/j.bmcl.2010.10.016 Muscarinic acetylcholine receptor M3 1
21036043 10.1016/j.bmcl.2010.10.016 Muscarinic acetylcholine receptor M2 1

Data from ChEMBL 36 via Core Engine