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Compound Detail

CHEMBL242002

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O=C(O)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL242002
Phase Preclinical
Structure Type MOL
InChI Key WSBOYOYQOJYXMU-BCPZQOPPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
1.78
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.83
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 C14H15NO3
MW 245.28
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
30878828 10.1016/j.ejmech.2019.02.074 Transient receptor potential cation channel subfamily A member 1 6
30878828 10.1016/j.ejmech.2019.02.074 Transient receptor potential cation channel subfamily M member 8 5
17045703 10.1016/j.ejmech.2006.08.016 Rattus norvegicus 2
17045703 10.1016/j.ejmech.2006.08.016 Unchecked 1
30878828 10.1016/j.ejmech.2019.02.074 No relevant target 1

Data from ChEMBL 36 via Core Engine