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Compound Detail

CHEMBL4175813

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CC(C)=CCOc1ccc(C(=O)/C=N/O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175813
Phase Preclinical
Structure Type MOL
InChI Key DIKOBVULVNJCCO-NTEUORMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.67
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H15NO3
MW 233.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.34

Literature References

PubMed DOI Target Context # Activities
29975532 10.1021/acs.jnatprod.7b00938 A549 1
29975532 10.1021/acs.jnatprod.7b00938 MDA-MB-231 1
29975532 10.1021/acs.jnatprod.7b00938 HepG2 1

Data from ChEMBL 36 via Core Engine