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Compound Detail

CHEMBL1289759

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CC(C)(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1289759
Phase Preclinical
Structure Type MOL
InChI Key BAXUYIMBZSDPGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.0
MW (Da)
4.60
ALogP
5
HBA
0
HBD
45.7
PSA (Ų)
0.69
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 C23H30ClN3O2S
MW 448.03
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.45

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