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Compound Detail

CHEMBL1290078

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Cc1nc(C(=O)N2CCCC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1290078
Phase Preclinical
Structure Type MOL
InChI Key FXYMZHCQKFWAQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.0
MW (Da)
4.62
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.75
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 C21H26ClN3OS
MW 403.98
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.56

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
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine