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Compound Detail

CHEMBL221785

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CCCCCC(O)(C(N)=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL221785
Phase Preclinical
Structure Type MOL
InChI Key PCKLNJIJZAGUKU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
1.94
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19NO2
MW 221.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.18

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15588087 10.1021/jm040077o Unchecked 1

Data from ChEMBL 36 via Core Engine