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Compound Detail

CHEMBL222042

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

Basic Information

ChEMBL ID CHEMBL222042
Phase Preclinical
Structure Type MOL
InChI Key XFEINUPDUHHDHE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
4.07
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27NO2
MW 277.41
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.25

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