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Compound Detail

CHEMBL1395862

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O=C(/C=C\C=C/c1ccc2c(c1)OCO2)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1395862
Phase Preclinical
Structure Type MOL
InChI Key MXXWOMGUGJBKIW-PORYWJCVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
3.00
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO3
MW 285.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.13

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25278230 10.1016/j.bmcl.2014.09.028 No relevant target 1

Data from ChEMBL 36 via Core Engine