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Compound Detail

CHEMBL238827

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CN(C)CC#CCOc1cc(-c2ccccc2)on1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL238827
Phase Preclinical
Structure Type MOL
InChI Key NYSUDCDBBLVGGU-UHFFFAOYSA-N
Parent Compound CHEMBL1182437
Active Moiety CHEMBL1182437
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.29
ALogP
4
HBA
0
HBD
38.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O6
MW 346.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
17889543 10.1016/j.bmc.2007.09.003 Muscarinic acetylcholine receptor M2 1
17889543 10.1016/j.bmc.2007.09.003 Muscarinic acetylcholine receptor M5 1

Data from ChEMBL 36 via Core Engine